N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine

C19H29NO — CID 114712137

IUPACN-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCNC1CC2(CCCC(C(C)C)CC2)Oc2ccccc21
InChIInChI=1S/C19H29NO/c1-14(2)15-7-6-11-19(12-10-15)13-17(20-3)16-8-4-5-9-18(16)21-19/h4-5,8-9,14-15,17,20H,6-7,10-13H2,1-3H3
InChIKeyVABPUXMECDRLJB-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.70
Rot. Bonds2

About N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine

N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (PubChem CID 114712137) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.

Molecular Properties

Compound NameN-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
PubChem CID114712137
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCNC1CC2(CCCC(C(C)C)CC2)Oc2ccccc21
InChIInChI=1S/C19H29NO/c1-14(2)15-7-6-11-19(12-10-15)13-17(20-3)16-8-4-5-9-18(16)21-19/h4-5,8-9,14-15,17,20H,6-7,10-13H2,1-3H3
InChIKeyVABPUXMECDRLJB-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946043
3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875170
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949913
6-fluoro-N-methyl-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450817
N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712062
(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450789
N,3',5'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114711957
N-methyl-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711983
N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide
CID 71920585
1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine
CID 97321760
6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114713186
N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylmethanesulfonamide
CID 56922318

Frequently Asked Questions

What is the IUPAC name of N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The IUPAC name of N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (CID 114712137) is N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.
What is the SMILES notation for N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The canonical SMILES for N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is CNC1CC2(CCCC(C(C)C)CC2)Oc2ccccc21.
What is the InChIKey of N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The InChIKey is VABPUXMECDRLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)15-7-6-11-19(12-10-15)13-17(20-3)16-8-4-5-9-18(16)21-19/h4-5,8-9,14-15,17,20H,6-7,10-13H2,1-3H3.
What are the key properties of N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine has a molecular weight of 287.45 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is sourced from PubChem (CID 114712137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).