N',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine

C22H30N2 — CID 70958641

IUPACN',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine
SMILESCCN(CC)CCN[C@H]1CC1c1ccc(-c2cccc(C)c2)cc1
InChIInChI=1S/C22H30N2/c1-4-24(5-2)14-13-23-22-16-21(22)19-11-9-18(10-12-19)20-8-6-7-17(3)15-20/h6-12,15,21-23H,4-5,13-14,16H2,1-3H3/t21?,22-/m0/s1
InChIKeyCKCFJEQLKAHECA-KEKNWZKVSA-N
MW322.50 g/mol
LogP4.45
Rot. Bonds8

About N',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine

N',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine (PubChem CID 70958641) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine
PubChem CID70958641
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC NameN',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine
SMILESCCN(CC)CCN[C@H]1CC1c1ccc(-c2cccc(C)c2)cc1
InChIInChI=1S/C22H30N2/c1-4-24(5-2)14-13-23-22-16-21(22)19-11-9-18(10-12-19)20-8-6-7-17(3)15-20/h6-12,15,21-23H,4-5,13-14,16H2,1-3H3/t21?,22-/m0/s1
InChIKeyCKCFJEQLKAHECA-KEKNWZKVSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-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',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine (CID 70958641) is N',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine is CCN(CC)CCN[C@H]1CC1c1ccc(-c2cccc(C)c2)cc1.
What is the InChIKey of N',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine?
The InChIKey is CKCFJEQLKAHECA-KEKNWZKVSA-N. The full InChI is InChI=1S/C22H30N2/c1-4-24(5-2)14-13-23-22-16-21(22)19-11-9-18(10-12-19)20-8-6-7-17(3)15-20/h6-12,15,21-23H,4-5,13-14,16H2,1-3H3/t21?,22-/m0/s1.
What are the key properties of N',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine?
N',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine has a molecular weight of 322.50 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(1S)-2-[4-(3-methylphenyl)phenyl]cyclopropyl]ethane-1,2-diamine is sourced from PubChem (CID 70958641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).