(1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine

C17H30N4O — CID 100738226

IUPAC(1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine
SMILESCN(C)[C@@H](CN[C@@H]1CCCC12CCOCC2)c1cnn(C)c1
InChIInChI=1S/C17H30N4O/c1-20(2)15(14-11-19-21(3)13-14)12-18-16-5-4-6-17(16)7-9-22-10-8-17/h11,13,15-16,18H,4-10,12H2,1-3H3/t15-,16+/m0/s1
InChIKeyOYGNPZNNPOUWOF-JKSUJKDBSA-N
MW306.45 g/mol
LogP1.96
Rot. Bonds5

About (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine

(1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine (PubChem CID 100738226) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine
PubChem CID100738226
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name(1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine
SMILESCN(C)[C@@H](CN[C@@H]1CCCC12CCOCC2)c1cnn(C)c1
InChIInChI=1S/C17H30N4O/c1-20(2)15(14-11-19-21(3)13-14)12-18-16-5-4-6-17(16)7-9-22-10-8-17/h11,13,15-16,18H,4-10,12H2,1-3H3/t15-,16+/m0/s1
InChIKeyOYGNPZNNPOUWOF-JKSUJKDBSA-N
XLogP1.96
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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'-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]ethane-1,2-diamine
CID 97326462
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
(1R)-N,N-dimethyl-N'-[(4-methylcyclohexyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 97329473
N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538964
1-cyclohexyl-3-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-methylguanidine
CID 111790294
N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 103903333
3-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 124737436
N,N-dimethyl-1-[methylamino-(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 79069835
N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine
CID 102951612
N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-pyrazin-2-ylethane-1,2-diamine
CID 133306662
N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199868

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine?
The IUPAC name of (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine (CID 100738226) is (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine.
What is the SMILES notation for (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine?
The canonical SMILES for (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine is CN(C)[C@@H](CN[C@@H]1CCCC12CCOCC2)c1cnn(C)c1.
What is the InChIKey of (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine?
The InChIKey is OYGNPZNNPOUWOF-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H30N4O/c1-20(2)15(14-11-19-21(3)13-14)12-18-16-5-4-6-17(16)7-9-22-10-8-17/h11,13,15-16,18H,4-10,12H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of (1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine?
(1R)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine has a molecular weight of 306.45 g/mol, XLogP of 1.96, 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'-[(4R)-8-oxaspiro[4.5]decan-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 100738226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).