N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine

C19H30N2 — CID 105347856

IUPACN-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine
SMILESCCCNCCc1ccc(CN(CC2CC2)C2CC2)cc1
InChIInChI=1S/C19H30N2/c1-2-12-20-13-11-16-3-5-17(6-4-16)14-21(19-9-10-19)15-18-7-8-18/h3-6,18-20H,2,7-15H2,1H3
InChIKeyTZZMTXJIBGYTCO-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.60
Rot. Bonds10

About N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine

N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine (PubChem CID 105347856) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine
PubChem CID105347856
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine
SMILESCCCNCCc1ccc(CN(CC2CC2)C2CC2)cc1
InChIInChI=1S/C19H30N2/c1-2-12-20-13-11-16-3-5-17(6-4-16)14-21(19-9-10-19)15-18-7-8-18/h3-6,18-20H,2,7-15H2,1H3
InChIKeyTZZMTXJIBGYTCO-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine 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-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346884
N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine
CID 103438455
N-ethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346888
N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347771
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
[4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]phenyl]boronic acid
CID 64521021
2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine
CID 105347717
N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
CID 105346894
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
CID 55129561
N-[2-[4-(cyclohexyloxymethyl)phenyl]ethyl]propan-1-amine
CID 105348999
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 64522871

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine (CID 105347856) is N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine is CCCNCCc1ccc(CN(CC2CC2)C2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine?
The InChIKey is TZZMTXJIBGYTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-12-20-13-11-16-3-5-17(6-4-16)14-21(19-9-10-19)15-18-7-8-18/h3-6,18-20H,2,7-15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine?
N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine has a molecular weight of 286.46 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 105347856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).