N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine

C19H30N2 — CID 103142527

IUPACN-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCC(C)CCN(c1cccc2c1CNCC2)C1CCCC1
InChIInChI=1S/C19H30N2/c1-15(2)11-13-21(17-7-3-4-8-17)19-9-5-6-16-10-12-20-14-18(16)19/h5-6,9,15,17,20H,3-4,7-8,10-14H2,1-2H3
InChIKeyCWGMWWKRRGRJMN-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.13
Rot. Bonds5

About N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine

N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine (PubChem CID 103142527) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound NameN-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
PubChem CID103142527
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCC(C)CCN(c1cccc2c1CNCC2)C1CCCC1
InChIInChI=1S/C19H30N2/c1-15(2)11-13-21(17-7-3-4-8-17)19-9-5-6-16-10-12-20-14-18(16)19/h5-6,9,15,17,20H,3-4,7-8,10-14H2,1-2H3
InChIKeyCWGMWWKRRGRJMN-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142185
2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzonitrile
CID 104716929
N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentanamine
CID 104557605
2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide
CID 115546593
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142297
1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 78973859
2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78974160
N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 82582888
N-cyclopentyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223559
2-[cyclopentyl(3-methylbutyl)amino]-3-methylbenzoic acid
CID 107112300
N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142429
2-(bromomethyl)-N-cyclopentyl-4-fluoro-N-(3-methylbutyl)aniline
CID 107084629

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The IUPAC name of N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine (CID 103142527) is N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The canonical SMILES for N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine is CC(C)CCN(c1cccc2c1CNCC2)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The InChIKey is CWGMWWKRRGRJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(2)11-13-21(17-7-3-4-8-17)19-9-5-6-16-10-12-20-14-18(16)19/h5-6,9,15,17,20H,3-4,7-8,10-14H2,1-2H3.
What are the key properties of N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine has a molecular weight of 286.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 103142527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).