2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine

C16H34N2 — CID 55074751

IUPAC2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCN(C1CCCC1)C(CNCC(C)C)C(C)C
InChIInChI=1S/C16H34N2/c1-6-18(15-9-7-8-10-15)16(14(4)5)12-17-11-13(2)3/h13-17H,6-12H2,1-5H3
InChIKeyBCVCRGMTRFIXQR-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds8

About 2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine

2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine (PubChem CID 55074751) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
PubChem CID55074751
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCN(C1CCCC1)C(CNCC(C)C)C(C)C
InChIInChI=1S/C16H34N2/c1-6-18(15-9-7-8-10-15)16(14(4)5)12-17-11-13(2)3/h13-17H,6-12H2,1-5H3
InChIKeyBCVCRGMTRFIXQR-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-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-cyclopentyl-2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine
CID 62422117
2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62422016
2-N-cyclopentyl-1-N,2-N-diethylpropane-1,2-diamine
CID 62421955
N'-cyclopentyl-N-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 176601683
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 64520884
N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane
CID 143070375
2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine
CID 83043017
2-N-cyclopentyl-2-N-ethyl-1-N-methylpentane-1,2-diamine
CID 83054821
N'-cyclohexyl-N'-ethyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62425397
3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81015222
2-N-cyclohexyl-2-N-ethylpropane-1,2-diamine
CID 16784373
2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62422296

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine (CID 55074751) is 2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine is CCN(C1CCCC1)C(CNCC(C)C)C(C)C.
What is the InChIKey of 2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine?
The InChIKey is BCVCRGMTRFIXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-18(15-9-7-8-10-15)16(14(4)5)12-17-11-13(2)3/h13-17H,6-12H2,1-5H3.
What are the key properties of 2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine?
2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 55074751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).