N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline

C17H26N2 — CID 112678265

IUPACN-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline
SMILESC=CCN(c1ccccc1C(CC)NCC)C1CC1
InChIInChI=1S/C17H26N2/c1-4-13-19(14-11-12-14)17-10-8-7-9-15(17)16(5-2)18-6-3/h4,7-10,14,16,18H,1,5-6,11-13H2,2-3H3
InChIKeyKQEARXZCRYUCQD-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.90
Rot. Bonds8

About N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline

N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline (PubChem CID 112678265) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline
PubChem CID112678265
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline
SMILESC=CCN(c1ccccc1C(CC)NCC)C1CC1
InChIInChI=1S/C17H26N2/c1-4-13-19(14-11-12-14)17-10-8-7-9-15(17)16(5-2)18-6-3/h4,7-10,14,16,18H,1,5-6,11-13H2,2-3H3
InChIKeyKQEARXZCRYUCQD-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline 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-cyclopropyl-N-ethyl-2-[1-(propylamino)propyl]aniline
CID 112677823
N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)propyl]aniline
CID 112678176
N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(propylamino)propyl]aniline
CID 115995005
2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol
CID 112678034
(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol
CID 103959730
2-[1-(ethylamino)propyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 115994967
5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline
CID 82968406
N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine
CID 107006072
2-[1-(ethylamino)propyl]-N-(4-fluorophenyl)-N-methylaniline
CID 115995117
2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline
CID 115995052
1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678203
N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677945

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline?
The IUPAC name of N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline (CID 112678265) is N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline.
What is the SMILES notation for N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline?
The canonical SMILES for N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline is C=CCN(c1ccccc1C(CC)NCC)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline?
The InChIKey is KQEARXZCRYUCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-13-19(14-11-12-14)17-10-8-7-9-15(17)16(5-2)18-6-3/h4,7-10,14,16,18H,1,5-6,11-13H2,2-3H3.
What are the key properties of N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline?
N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline has a molecular weight of 258.41 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline is sourced from PubChem (CID 112678265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).