(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine

C19H29NO — CID 104946535

IUPAC(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCCCC1CCCC2(CC1)C[C@@H](N)c1cc(C)ccc1O2
InChIInChI=1S/C19H29NO/c1-3-5-15-6-4-10-19(11-9-15)13-17(20)16-12-14(2)7-8-18(16)21-19/h7-8,12,15,17H,3-6,9-11,13,20H2,1-2H3/t15?,17-,19?/m1/s1
InChIKeyZVUYIEUAIKHCKS-URSIVYNOSA-N
MW287.45 g/mol
LogP4.90
Rot. Bonds2

About (4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine

(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (PubChem CID 104946535) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.

Molecular Properties

Compound Name(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
PubChem CID104946535
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCCCC1CCCC2(CC1)C[C@@H](N)c1cc(C)ccc1O2
InChIInChI=1S/C19H29NO/c1-3-5-15-6-4-10-19(11-9-15)13-17(20)16-12-14(2)7-8-18(16)21-19/h7-8,12,15,17H,3-6,9-11,13,20H2,1-2H3/t15?,17-,19?/m1/s1
InChIKeyZVUYIEUAIKHCKS-URSIVYNOSA-N
XLogP4.90
TPSA35.25 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 ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946149
(4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946481
(4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine
CID 104946649
(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946976
(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945678
1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709709
(4S)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951256
(4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951482
(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180
(4S)-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949941
1',6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 72698320
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944151

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The IUPAC name of (4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (CID 104946535) is (4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.
What is the SMILES notation for (4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The canonical SMILES for (4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is CCCC1CCCC2(CC1)C[C@@H](N)c1cc(C)ccc1O2.
What is the InChIKey of (4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The InChIKey is ZVUYIEUAIKHCKS-URSIVYNOSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-5-15-6-4-10-19(11-9-15)13-17(20)16-12-14(2)7-8-18(16)21-19/h7-8,12,15,17H,3-6,9-11,13,20H2,1-2H3/t15?,17-,19?/m1/s1.
What are the key properties of (4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine has a molecular weight of 287.45 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is sourced from PubChem (CID 104946535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).