N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine

C14H30N2 — CID 176601683

IUPACN'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)CNCCN(C(C)C)C1CCCC1
InChIInChI=1S/C14H30N2/c1-12(2)11-15-9-10-16(13(3)4)14-7-5-6-8-14/h12-15H,5-11H2,1-4H3
InChIKeyHJNGPTIXVDEIMA-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds7

About N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine

N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 176601683) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID176601683
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)CNCCN(C(C)C)C1CCCC1
InChIInChI=1S/C14H30N2/c1-12(2)11-15-9-10-16(13(3)4)14-7-5-6-8-14/h12-15H,5-11H2,1-4H3
InChIKeyHJNGPTIXVDEIMA-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-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'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
2-[cyclopentyl(propan-2-yl)amino]ethanol
CID 62020033
N'-cyclopropyl-N-(2,2-dimethylpropyl)-N'-propan-2-ylethane-1,2-diamine;hydrochloride
CID 115615727
N-[2-[2-[cyclopentyl(propan-2-yl)amino]ethylsulfonyl]ethyl]-N-propan-2-ylcyclopentanamine
CID 56570213
N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62425397
2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55074751
3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
CID 62420483
N-(3-bromopropyl)-N-propan-2-ylcyclopentanamine
CID 82936411
N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 101082542
N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide
CID 59205246
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine (CID 176601683) is N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)CNCCN(C(C)C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is HJNGPTIXVDEIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)11-15-9-10-16(13(3)4)14-7-5-6-8-14/h12-15H,5-11H2,1-4H3.
What are the key properties of N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine?
N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 176601683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).