1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine

C14H31N3 — CID 63695200

IUPAC1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine
SMILESCCCNC1CCCC1N(C)CCCN(C)C
InChIInChI=1S/C14H31N3/c1-5-10-15-13-8-6-9-14(13)17(4)12-7-11-16(2)3/h13-15H,5-12H2,1-4H3
InChIKeyVMQBLFOPWBPJOU-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds8

About 1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine

1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine (PubChem CID 63695200) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine
PubChem CID63695200
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine
SMILESCCCNC1CCCC1N(C)CCCN(C)C
InChIInChI=1S/C14H31N3/c1-5-10-15-13-8-6-9-14(13)17(4)12-7-11-16(2)3/h13-15H,5-12H2,1-4H3
InChIKeyVMQBLFOPWBPJOU-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-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

Related Compounds

2-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 55228107
2-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63694161
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 102992452
1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine
CID 62985177
2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine
CID 63207322
2-N-methyl-2-N-(2-phenylethyl)-1-N-propylcyclohexane-1,2-diamine
CID 65488170
1-N-methyl-1-N-(2-phenylethyl)-2-N-propylcycloheptane-1,2-diamine
CID 65485884
1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
CID 63466762
N',N'-dimethyl-N-[(1R,2S)-2-methylcyclopentyl]propane-1,3-diamine
CID 96923135
2-N-benzyl-2-N-methyl-1-N-propylcyclooctane-1,2-diamine
CID 63466024
2-N-butyl-4-tert-butyl-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466743
1-N-[2-(dimethylamino)ethyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine
CID 79860080

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine (CID 63695200) is 1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine is CCCNC1CCCC1N(C)CCCN(C)C.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine?
The InChIKey is VMQBLFOPWBPJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-10-15-13-8-6-9-14(13)17(4)12-7-11-16(2)3/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine?
1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine is sourced from PubChem (CID 63695200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).