N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine

C16H26N2 — CID 62262722

IUPACN-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
SMILESCCN(C)CC(C)(CNC1CC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-4-18(3)13-16(2,12-17-15-10-11-15)14-8-6-5-7-9-14/h5-9,15,17H,4,10-13H2,1-3H3
InChIKeyUECLYEPVNKYUTN-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.65
Rot. Bonds7

About N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine

N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine (PubChem CID 62262722) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
PubChem CID62262722
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
SMILESCCN(C)CC(C)(CNC1CC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-4-18(3)13-16(2,12-17-15-10-11-15)14-8-6-5-7-9-14/h5-9,15,17H,4,10-13H2,1-3H3
InChIKeyUECLYEPVNKYUTN-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-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-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine (CID 62262722) is N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine is CCN(C)CC(C)(CNC1CC1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine?
The InChIKey is UECLYEPVNKYUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18(3)13-16(2,12-17-15-10-11-15)14-8-6-5-7-9-14/h5-9,15,17H,4,10-13H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine?
N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 62262722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).