N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine

C12H26N2 — CID 62594002

IUPACN'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)CC1CCCC1
InChIInChI=1S/C12H26N2/c1-3-8-13-9-10-14(2)11-12-6-4-5-7-12/h12-13H,3-11H2,1-2H3
InChIKeyXUDILWSHDBLOFJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds7

About N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine

N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine (PubChem CID 62594002) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
PubChem CID62594002
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)CC1CCCC1
InChIInChI=1S/C12H26N2/c1-3-8-13-9-10-14(2)11-12-6-4-5-7-12/h12-13H,3-11H2,1-2H3
InChIKeyXUDILWSHDBLOFJ-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-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

N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 61387224
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62557751
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
N-(2-butoxyethyl)-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55248291
N'-(cyclopentylmethyl)-N-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 63655720
N'-(cyclopentylmethyl)-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine
CID 55248488
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63632628
N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 63657941

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine (CID 62594002) is N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine is CCCNCCN(C)CC1CCCC1.
What is the InChIKey of N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine?
The InChIKey is XUDILWSHDBLOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-8-13-9-10-14(2)11-12-6-4-5-7-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine?
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 62594002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).