7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C19H29NO — CID 82462867

IUPAC7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCc1ccc2c(c1)OC1(CCCCC1)CC2NCC(C)C
InChIInChI=1S/C19H29NO/c1-14(2)13-20-17-12-19(9-5-4-6-10-19)21-18-11-15(3)7-8-16(17)18/h7-8,11,14,17,20H,4-6,9-10,12-13H2,1-3H3
InChIKeyZQDPVRCRBBSJMU-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.77
Rot. Bonds3

About 7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 82462867) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID82462867
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCc1ccc2c(c1)OC1(CCCCC1)CC2NCC(C)C
InChIInChI=1S/C19H29NO/c1-14(2)13-20-17-12-19(9-5-4-6-10-19)21-18-11-15(3)7-8-16(17)18/h7-8,11,14,17,20H,4-6,9-10,12-13H2,1-3H3
InChIKeyZQDPVRCRBBSJMU-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462666
7-bromo-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-amine
CID 114711827
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871
5-methoxy-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462809
7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462770
N',N'-dimethyl-N-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462678
2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462475
N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-2-naphthalen-1-ylacetamide
CID 143828436
N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462754
7-methoxy-N-(naphthalen-2-ylmethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 54401835
(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-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 75383131

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 82462867) is 7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is Cc1ccc2c(c1)OC1(CCCCC1)CC2NCC(C)C.
What is the InChIKey of 7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is ZQDPVRCRBBSJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)13-20-17-12-19(9-5-4-6-10-19)21-18-11-15(3)7-8-16(17)18/h7-8,11,14,17,20H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of 7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 287.45 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 82462867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).