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

C18H27NO — CID 107430742

IUPAC(4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC(C)CC1CCCC2(C1)C[C@H](N)c1ccccc1O2
InChIInChI=1S/C18H27NO/c1-13(2)10-14-6-5-9-18(11-14)12-16(19)15-7-3-4-8-17(15)20-18/h3-4,7-8,13-14,16H,5-6,9-12,19H2,1-2H3/t14?,16-,18?/m0/s1
InChIKeyOETNRWYLONWRBP-HQVVEAJESA-N
MW273.42 g/mol
LogP4.44
Rot. Bonds2

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

(4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 107430742) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID107430742
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC(C)CC1CCCC2(C1)C[C@H](N)c1ccccc1O2
InChIInChI=1S/C18H27NO/c1-13(2)10-14-6-5-9-18(11-14)12-16(19)15-7-3-4-8-17(15)20-18/h3-4,7-8,13-14,16H,5-6,9-12,19H2,1-2H3/t14?,16-,18?/m0/s1
InChIKeyOETNRWYLONWRBP-HQVVEAJESA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709557
7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107430730
(4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107430740
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946043
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130060
(4S)-6-chloro-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107430709
(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946149
(4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 104945926
(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946089
(4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104948009

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 107430742) is (4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CC(C)CC1CCCC2(C1)C[C@H](N)c1ccccc1O2.
What is the InChIKey of (4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is OETNRWYLONWRBP-HQVVEAJESA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)10-14-6-5-9-18(11-14)12-16(19)15-7-3-4-8-17(15)20-18/h3-4,7-8,13-14,16H,5-6,9-12,19H2,1-2H3/t14?,16-,18?/m0/s1.
What are the key properties of (4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 273.42 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 107430742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).