2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine

C12H26N2 — CID 62422296

IUPAC2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
SMILESCCC(CNC)N(CC)C1CCCC1
InChIInChI=1S/C12H26N2/c1-4-11(10-13-3)14(5-2)12-8-6-7-9-12/h11-13H,4-10H2,1-3H3
InChIKeyCDLNYHPOXQXVLE-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds6

About 2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine

2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine (PubChem CID 62422296) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
PubChem CID62422296
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
SMILESCCC(CNC)N(CC)C1CCCC1
InChIInChI=1S/C12H26N2/c1-4-11(10-13-3)14(5-2)12-8-6-7-9-12/h11-13H,4-10H2,1-3H3
InChIKeyCDLNYHPOXQXVLE-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopentyl-2-N-ethyl-1-N-methylpentane-1,2-diamine
CID 83054821
2-N-cyclohexyl-2-N-ethyl-1-N-propylbutane-1,2-diamine
CID 62423025
2-N-cyclopentyl-2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine
CID 62422117
2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine
CID 83043017
2-N-cyclopentyl-1-N,2-N-diethylpropane-1,2-diamine
CID 62421955
3-amino-2-[cyclohexyl(ethyl)amino]propan-1-ol
CID 104710791
methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate
CID 115536847
2-N-cyclopropyl-2-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62429365
N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane
CID 143070375
N-hexan-3-yl-N-propylcyclopentanamine
CID 130409572
2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine
CID 62436874
2-N-cyclopentyl-2-N-ethyl-3-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55074751

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine (CID 62422296) is 2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine is CCC(CNC)N(CC)C1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine?
The InChIKey is CDLNYHPOXQXVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-11(10-13-3)14(5-2)12-8-6-7-9-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine?
2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 6 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-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 62422296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).