N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine

C16H26N2 — CID 62780378

IUPACN-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine
SMILESCCCN(CC1CC1)C(CCN)c1ccccc1
InChIInChI=1S/C16H26N2/c1-2-12-18(13-14-8-9-14)16(10-11-17)15-6-4-3-5-7-15/h3-7,14,16H,2,8-13,17H2,1H3
InChIKeyKDQXQJJGEHSHOX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds8

About N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine

N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine (PubChem CID 62780378) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine
PubChem CID62780378
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine
SMILESCCCN(CC1CC1)C(CCN)c1ccccc1
InChIInChI=1S/C16H26N2/c1-2-12-18(13-14-8-9-14)16(10-11-17)15-6-4-3-5-7-15/h3-7,14,16H,2,8-13,17H2,1H3
InChIKeyKDQXQJJGEHSHOX-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine (CID 62780378) is N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine is CCCN(CC1CC1)C(CCN)c1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine?
The InChIKey is KDQXQJJGEHSHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-12-18(13-14-8-9-14)16(10-11-17)15-6-4-3-5-7-15/h3-7,14,16H,2,8-13,17H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine?
N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 62780378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).