N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine

C17H22N2 — CID 106902297

IUPACN-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine
SMILESC#CCN(CC1CC1)CC1CNc2ccccc2C1
InChIInChI=1S/C17H22N2/c1-2-9-19(12-14-7-8-14)13-15-10-16-5-3-4-6-17(16)18-11-15/h1,3-6,14-15,18H,7-13H2
InChIKeySTRZDQAHGCIHHZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.62
Rot. Bonds5

About N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine

N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine (PubChem CID 106902297) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine
PubChem CID106902297
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine
SMILESC#CCN(CC1CC1)CC1CNc2ccccc2C1
InChIInChI=1S/C17H22N2/c1-2-9-19(12-14-7-8-14)13-15-10-16-5-3-4-6-17(16)18-11-15/h1,3-6,14-15,18H,7-13H2
InChIKeySTRZDQAHGCIHHZ-UHFFFAOYSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901965
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine
CID 106902107
N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine
CID 106902048
N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902030
N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106902191
N,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)cyclohexan-1-amine
CID 106902062
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 70239123
N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901490
3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine
CID 106902239
N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901978
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902024

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine (CID 106902297) is N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine is C#CCN(CC1CC1)CC1CNc2ccccc2C1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine?
The InChIKey is STRZDQAHGCIHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-9-19(12-14-7-8-14)13-15-10-16-5-3-4-6-17(16)18-11-15/h1,3-6,14-15,18H,7-13H2.
What are the key properties of N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine?
N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine has a molecular weight of 254.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine is sourced from PubChem (CID 106902297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).