N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C18H31N3 — CID 102991833

IUPACN'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C18H31N3/c1-4-21(13-5-12-20(2)3)18(14-19)17-10-8-16(9-11-17)15-6-7-15/h8-11,15,18H,4-7,12-14,19H2,1-3H3
InChIKeyFJMKALBAKLRBHD-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.84
Rot. Bonds9

About N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102991833) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102991833
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C18H31N3/c1-4-21(13-5-12-20(2)3)18(14-19)17-10-8-16(9-11-17)15-6-7-15/h8-11,15,18H,4-7,12-14,19H2,1-3H3
InChIKeyFJMKALBAKLRBHD-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-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'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991504
N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 79984493
N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991476
N'-[2-amino-1-(3-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991412
1-(4-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658234
N'-[2-amino-1-(3-cyclopropylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79984117
N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 115524220
N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991984
1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 79984792
1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 79984565
N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
CID 43079217
1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 79968413

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102991833) is N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)C(CN)c1ccc(C2CC2)cc1.
What is the InChIKey of N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is FJMKALBAKLRBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-21(13-5-12-20(2)3)18(14-19)17-10-8-16(9-11-17)15-6-7-15/h8-11,15,18H,4-7,12-14,19H2,1-3H3.
What are the key properties of N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102991833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).