N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C19H29NO — CID 82462871

IUPACN-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCCCNC1CC2(CCCCC2)Oc2ccc(C)cc21
InChIInChI=1S/C19H29NO/c1-3-4-12-20-17-14-19(10-6-5-7-11-19)21-18-9-8-15(2)13-16(17)18/h8-9,13,17,20H,3-7,10-12,14H2,1-2H3
InChIKeyGAATZXNALNCNOG-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.91
Rot. Bonds4

About N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 82462871) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound NameN-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID82462871
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCCCNC1CC2(CCCCC2)Oc2ccc(C)cc21
InChIInChI=1S/C19H29NO/c1-3-4-12-20-17-14-19(10-6-5-7-11-19)21-18-9-8-15(2)13-16(17)18/h8-9,13,17,20H,3-7,10-12,14H2,1-2H3
InChIKeyGAATZXNALNCNOG-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 82462871) is N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCCCNC1CC2(CCCCC2)Oc2ccc(C)cc21.
What is the InChIKey of N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is GAATZXNALNCNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-4-12-20-17-14-19(10-6-5-7-11-19)21-18-9-8-15(2)13-16(17)18/h8-9,13,17,20H,3-7,10-12,14H2,1-2H3.
What are the key properties of N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 287.45 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 82462871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).