N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine

C16H26N2 — CID 113410382

IUPACN'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine
SMILESCC(C)c1ccc(CNCCCNC2CC2)cc1
InChIInChI=1S/C16H26N2/c1-13(2)15-6-4-14(5-7-15)12-17-10-3-11-18-16-8-9-16/h4-7,13,16-18H,3,8-12H2,1-2H3
InChIKeyYXQPKTKVDHCMCC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.04
Rot. Bonds8

About N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine

N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine (PubChem CID 113410382) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine
PubChem CID113410382
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine
SMILESCC(C)c1ccc(CNCCCNC2CC2)cc1
InChIInChI=1S/C16H26N2/c1-13(2)15-6-4-14(5-7-15)12-17-10-3-11-18-16-8-9-16/h4-7,13,16-18H,3,8-12H2,1-2H3
InChIKeyYXQPKTKVDHCMCC-UHFFFAOYSA-N
XLogP3.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-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

Related Compounds

N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N'-[3-[(4-propan-2-ylphenyl)methylamino]propyl]butane-1,4-diamine
CID 58965144
N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine
CID 171352452
4-iodo-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 106844555
N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17331857
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
4-[(4-propan-2-ylphenyl)methylamino]butanamide
CID 60863561
3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 29053338
4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 106122009
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 115149551
N-[(4-chloro-3-fluorophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 114024463

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine (CID 113410382) is N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine is CC(C)c1ccc(CNCCCNC2CC2)cc1.
What is the InChIKey of N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine?
The InChIKey is YXQPKTKVDHCMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)15-6-4-14(5-7-15)12-17-10-3-11-18-16-8-9-16/h4-7,13,16-18H,3,8-12H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine?
N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 113410382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).