4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine

C15H32N2 — CID 79123232

IUPAC4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCCC(CCC)N(C)C1CCC(NC)CC1
InChIInChI=1S/C15H32N2/c1-5-7-14(8-6-2)17(4)15-11-9-13(16-3)10-12-15/h13-16H,5-12H2,1-4H3
InChIKeyFFILTYNQYQUJHE-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds7

About 4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79123232) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79123232
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCCC(CCC)N(C)C1CCC(NC)CC1
InChIInChI=1S/C15H32N2/c1-5-7-14(8-6-2)17(4)15-11-9-13(16-3)10-12-15/h13-16H,5-12H2,1-4H3
InChIKeyFFILTYNQYQUJHE-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Ethyl cyclohexylamine
CID 21609
Cyclohexylisopropylamine
CID 62386
N-Butyl cyclohexylamine
CID 24946
N,N-Diethyl-1,4-cyclohexanediamine
CID 349884
N,N'-bis(3-(ethylamino)propyl)-1,4-cyclohexanediamine
CID 9817295
1-N,4-N-bis[4-(ethylamino)butyl]cyclohexane-1,4-diamine
CID 15407935
N-hexylcyclohexanamine
CID 4991888
N-Propylcyclohexanamine
CID 19178
N,N-Dimethyl-1,4-cyclohexanediamine
CID 345823
N-(2-aminoethyl)-N-methylcyclohexanamine
CID 7138281
N-(3-aminopropyl)-N-methylcyclohexanamine
CID 7138385
N1,N1,N4-trimethylcyclohexane-1,4-diamine
CID 18364430

Frequently Asked Questions

What is the IUPAC name of 4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79123232) is 4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine is CCCC(CCC)N(C)C1CCC(NC)CC1.
What is the InChIKey of 4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is FFILTYNQYQUJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-7-14(8-6-2)17(4)15-11-9-13(16-3)10-12-15/h13-16H,5-12H2,1-4H3.
What are the key properties of 4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79123232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).