N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine

C19H30N2O — CID 82462666

IUPACN',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
SMILESCc1ccc2c(c1)OC1(CCCC1)CC2NCCCN(C)C
InChIInChI=1S/C19H30N2O/c1-15-7-8-16-17(20-11-6-12-21(2)3)14-19(9-4-5-10-19)22-18(16)13-15/h7-8,13,17,20H,4-6,9-12,14H2,1-3H3
InChIKeyHELDRJRSRFBUSV-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.67
Rot. Bonds5

About N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine

N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine (PubChem CID 82462666) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
PubChem CID82462666
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
SMILESCc1ccc2c(c1)OC1(CCCC1)CC2NCCCN(C)C
InChIInChI=1S/C19H30N2O/c1-15-7-8-16-17(20-11-6-12-21(2)3)14-19(9-4-5-10-19)22-18(16)13-15/h7-8,13,17,20H,4-6,9-12,14H2,1-3H3
InChIKeyHELDRJRSRFBUSV-UHFFFAOYSA-N
XLogP3.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462678
N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462731
7-methyl-N-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462867
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871
N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461776
N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462754
N-(2-ethyl-2,6-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462158
N-(6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82462781
N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82461769
N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine
CID 82462139
7-bromo-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-amine
CID 114711827
6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462710

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine (CID 82462666) is N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine is Cc1ccc2c(c1)OC1(CCCC1)CC2NCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine?
The InChIKey is HELDRJRSRFBUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15-7-8-16-17(20-11-6-12-21(2)3)14-19(9-4-5-10-19)22-18(16)13-15/h7-8,13,17,20H,4-6,9-12,14H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine has a molecular weight of 302.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine is sourced from PubChem (CID 82462666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).