(1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine

C22H32N4O — CID 97326462

IUPAC(1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine
SMILESCN(C)[C@@H](CN[C@H]1CC2(CCCCC2)Oc2ccccc21)c1cnn(C)c1
InChIInChI=1S/C22H32N4O/c1-25(2)20(17-14-24-26(3)16-17)15-23-19-13-22(11-7-4-8-12-22)27-21-10-6-5-9-18(19)21/h5-6,9-10,14,16,19-20,23H,4,7-8,11-13,15H2,1-3H3/t19-,20-/m0/s1
InChIKeyLAWVWEDFYSLMIW-PMACEKPBSA-N
MW368.53 g/mol
LogP3.84
Rot. Bonds5

About (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine

(1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine (PubChem CID 97326462) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine
PubChem CID97326462
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name(1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine
SMILESCN(C)[C@@H](CN[C@H]1CC2(CCCCC2)Oc2ccccc21)c1cnn(C)c1
InChIInChI=1S/C22H32N4O/c1-25(2)20(17-14-24-26(3)16-17)15-23-19-13-22(11-7-4-8-12-22)27-21-10-6-5-9-18(19)21/h5-6,9-10,14,16,19-20,23H,4,7-8,11-13,15H2,1-3H3/t19-,20-/m0/s1
InChIKeyLAWVWEDFYSLMIW-PMACEKPBSA-N
XLogP3.84
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine with MolForge

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Related Compounds

N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(1,2,4,5-tetrahydro-3-benzothiepin-5-yl)ethane-1,2-diamine
CID 75383247
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 75383131
(1S)-N'-[(5R)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 97334066
(1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine
CID 100738226
7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462867
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
CID 114712286
N'-(3-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 102553146
N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide
CID 95706500
N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylmethanesulfonamide
CID 56922318
N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712158
1-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea
CID 131945765
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949961

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine?
The IUPAC name of (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine (CID 97326462) is (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine.
What is the SMILES notation for (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine?
The canonical SMILES for (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine is CN(C)[C@@H](CN[C@H]1CC2(CCCCC2)Oc2ccccc21)c1cnn(C)c1.
What is the InChIKey of (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine?
The InChIKey is LAWVWEDFYSLMIW-PMACEKPBSA-N. The full InChI is InChI=1S/C22H32N4O/c1-25(2)20(17-14-24-26(3)16-17)15-23-19-13-22(11-7-4-8-12-22)27-21-10-6-5-9-18(19)21/h5-6,9-10,14,16,19-20,23H,4,7-8,11-13,15H2,1-3H3/t19-,20-/m0/s1.
What are the key properties of (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine?
(1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine has a molecular weight of 368.53 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 97326462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).