6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C20H31NO — CID 82462710

IUPAC6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCCCCNC1CC2(CCCC2)Oc2c(C)cc(C)cc21
InChIInChI=1S/C20H31NO/c1-4-5-8-11-21-18-14-20(9-6-7-10-20)22-19-16(3)12-15(2)13-17(18)19/h12-13,18,21H,4-11,14H2,1-3H3
InChIKeyVZCJZKNJJBCXFV-UHFFFAOYSA-N
MW301.47 g/mol
LogP5.22
Rot. Bonds5

About 6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 82462710) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID82462710
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCCCCNC1CC2(CCCC2)Oc2c(C)cc(C)cc21
InChIInChI=1S/C20H31NO/c1-4-5-8-11-21-18-14-20(9-6-7-10-20)22-19-16(3)12-15(2)13-17(18)19/h12-13,18,21H,4-11,14H2,1-3H3
InChIKeyVZCJZKNJJBCXFV-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 55.22
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 6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 82462710) is 6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CCCCCNC1CC2(CCCC2)Oc2c(C)cc(C)cc21.
What is the InChIKey of 6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is VZCJZKNJJBCXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-4-5-8-11-21-18-14-20(9-6-7-10-20)22-19-16(3)12-15(2)13-17(18)19/h12-13,18,21H,4-11,14H2,1-3H3.
What are the key properties of 6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 301.47 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 82462710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).