N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine

C17H25NO — CID 23822564

IUPACN-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
SMILESC=CCOc1ccccc1CN(CCC)CC1CC1
InChIInChI=1S/C17H25NO/c1-3-11-18(13-15-9-10-15)14-16-7-5-6-8-17(16)19-12-4-2/h4-8,15H,2-3,9-14H2,1H3
InChIKeyOWIUEYZLRKULIF-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.87
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine

N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine (PubChem CID 23822564) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
PubChem CID23822564
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
SMILESC=CCOc1ccccc1CN(CCC)CC1CC1
InChIInChI=1S/C17H25NO/c1-3-11-18(13-15-9-10-15)14-16-7-5-6-8-17(16)19-12-4-2/h4-8,15H,2-3,9-14H2,1H3
InChIKeyOWIUEYZLRKULIF-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-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-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine
CID 43478990
N-benzyl-N-[(2-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 2245013
3-[[cyclopropylmethyl(propyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62469605
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357
N,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine
CID 2845950
N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454639
2-[[cyclohexylmethyl(propyl)amino]methyl]aniline
CID 43459942
N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
CID 115463874
3-[[cyclopropylmethyl(propyl)amino]methyl]-N-methylpyridin-2-amine
CID 62471758
N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 46998544
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine (CID 23822564) is N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine is C=CCOc1ccccc1CN(CCC)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine?
The InChIKey is OWIUEYZLRKULIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-11-18(13-15-9-10-15)14-16-7-5-6-8-17(16)19-12-4-2/h4-8,15H,2-3,9-14H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine?
N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 23822564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).