1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

C17H36N2 — CID 64724628

IUPAC1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC1CC(C)CC(C)C1)N(C)C
InChIInChI=1S/C17H36N2/c1-7-15(8-2)17(19(5)6)12-18-16-10-13(3)9-14(4)11-16/h13-18H,7-12H2,1-6H3
InChIKeyJFYCKTJOMHSZFU-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds7

About 1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 64724628) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID64724628
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC1CC(C)CC(C)C1)N(C)C
InChIInChI=1S/C17H36N2/c1-7-15(8-2)17(19(5)6)12-18-16-10-13(3)9-14(4)11-16/h13-18H,7-12H2,1-6H3
InChIKeyJFYCKTJOMHSZFU-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (CID 64724628) is 1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNC1CC(C)CC(C)C1)N(C)C.
What is the InChIKey of 1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is JFYCKTJOMHSZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-15(8-2)17(19(5)6)12-18-16-10-13(3)9-14(4)11-16/h13-18H,7-12H2,1-6H3.
What are the key properties of 1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-dimethylcyclohexyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 64724628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).