2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine

C16H34N2 — CID 83043017

IUPAC2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine
SMILESCCCNCC(CCC)N(CC)C1CCCCC1
InChIInChI=1S/C16H34N2/c1-4-10-16(14-17-13-5-2)18(6-3)15-11-8-7-9-12-15/h15-17H,4-14H2,1-3H3
InChIKeyJKSAOGXKOSOHLV-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds9

About 2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine

2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine (PubChem CID 83043017) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine
PubChem CID83043017
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine
SMILESCCCNCC(CCC)N(CC)C1CCCCC1
InChIInChI=1S/C16H34N2/c1-4-10-16(14-17-13-5-2)18(6-3)15-11-8-7-9-12-15/h15-17H,4-14H2,1-3H3
InChIKeyJKSAOGXKOSOHLV-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-cyclohexyl-2-N-ethyl-1-N-propylbutane-1,2-diamine
CID 62423025
2-N-cyclopentyl-2-N-ethyl-1-N-methylpentane-1,2-diamine
CID 83054821
2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83054723
3-N-cyclopentyl-3-N-ethyl-4-N-propylheptane-3,4-diamine
CID 63470267
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62422296
3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine
CID 43423216
2-N-methyl-2-N-(oxan-4-yl)-1-N-propylpentane-1,2-diamine
CID 83054828
2-N-cyclopentyl-1-N,2-N-diethylpropane-1,2-diamine
CID 62421955
N-hexan-3-yl-N-propylcyclopentanamine
CID 130409572
2-N-cyclohexyl-2-N-ethylpropane-1,2-diamine
CID 16784373

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine?
The IUPAC name of 2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine (CID 83043017) is 2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine.
What is the SMILES notation for 2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine?
The canonical SMILES for 2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine is CCCNCC(CCC)N(CC)C1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine?
The InChIKey is JKSAOGXKOSOHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-10-16(14-17-13-5-2)18(6-3)15-11-8-7-9-12-15/h15-17H,4-14H2,1-3H3.
What are the key properties of 2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine?
2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-2-N-ethyl-1-N-propylpentane-1,2-diamine is sourced from PubChem (CID 83043017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).