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

C14H19NO — CID 42130060

IUPAC(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESN[C@H]1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C14H19NO/c15-12-10-14(8-4-1-5-9-14)16-13-7-3-2-6-11(12)13/h2-3,6-7,12H,1,4-5,8-10,15H2/t12-/m0/s1
InChIKeyPFYRBUIZTFCYNP-LBPRGKRZSA-N
MW217.31 g/mol
LogP3.17
Rot. Bonds

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

(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 42130060) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID42130060
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESN[C@H]1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C14H19NO/c15-12-10-14(8-4-1-5-9-14)16-13-7-3-2-6-11(12)13/h2-3,6-7,12H,1,4-5,8-10,15H2/t12-/m0/s1
InChIKeyPFYRBUIZTFCYNP-LBPRGKRZSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946043
spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709400
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
CID 43810428
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949961
1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709485
(4R)-1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 104946207
3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709557
(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946089
(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946149
7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82388879

Frequently Asked Questions

What is the IUPAC name of (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 42130060) is (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is N[C@H]1CC2(CCCCC2)Oc2ccccc21.
What is the InChIKey of (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is PFYRBUIZTFCYNP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO/c15-12-10-14(8-4-1-5-9-14)16-13-7-3-2-6-11(12)13/h2-3,6-7,12H,1,4-5,8-10,15H2/t12-/m0/s1.
What are the key properties of (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 217.31 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 42130060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).