4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine

C17H23N3 — CID 82572343

IUPAC4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine
SMILESCc1ccc2c(N(C)C)ncc(NC3CCCC3)c2c1
InChIInChI=1S/C17H23N3/c1-12-8-9-14-15(10-12)16(11-18-17(14)20(2)3)19-13-6-4-5-7-13/h8-11,13,19H,4-7H2,1-3H3
InChIKeySPKISDQDBULMDV-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.96
Rot. Bonds3

About 4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine

4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine (PubChem CID 82572343) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine
PubChem CID82572343
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine
SMILESCc1ccc2c(N(C)C)ncc(NC3CCCC3)c2c1
InChIInChI=1S/C17H23N3/c1-12-8-9-14-15(10-12)16(11-18-17(14)20(2)3)19-13-6-4-5-7-13/h8-11,13,19H,4-7H2,1-3H3
InChIKeySPKISDQDBULMDV-UHFFFAOYSA-N
XLogP3.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine
CID 82572357
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461
N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945
1-N-cyclooctyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726463
5-N-cyclopentyl-3-methylisoquinoline-5,8-diamine
CID 102712921
2-(cyclopentylamino)-4-methylbenzoic acid
CID 62710261
2-(cyclooctylamino)-4-methylbenzoic acid
CID 63512183
2-chloro-N-cyclohexyl-7-methylquinazolin-4-amine
CID 134109451
methyl 2-(cyclopentylamino)-5-methylbenzoate
CID 43679174
4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112869053

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine?
The IUPAC name of 4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine (CID 82572343) is 4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine is Cc1ccc2c(N(C)C)ncc(NC3CCCC3)c2c1.
What is the InChIKey of 4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine?
The InChIKey is SPKISDQDBULMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-8-9-14-15(10-12)16(11-18-17(14)20(2)3)19-13-6-4-5-7-13/h8-11,13,19H,4-7H2,1-3H3.
What are the key properties of 4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine?
4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-1-N,1-N,6-trimethylisoquinoline-1,4-diamine is sourced from PubChem (CID 82572343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).