N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane

C15H33N — CID 155582825

IUPACN-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
SMILESCC.CCCCN(C)C1CCC(CC)CC1
InChIInChI=1S/C13H27N.C2H6/c1-4-6-11-14(3)13-9-7-12(5-2)8-10-13;1-2/h12-13H,4-11H2,1-3H3;1-2H3
InChIKeyJEJAUUUFYYZJGQ-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.71
Rot. Bonds5

About N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane

N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane (PubChem CID 155582825) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane.

Molecular Properties

Compound NameN-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
PubChem CID155582825
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC NameN-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
SMILESCC.CCCCN(C)C1CCC(CC)CC1
InChIInChI=1S/C13H27N.C2H6/c1-4-6-11-14(3)13-9-7-12(5-2)8-10-13;1-2/h12-13H,4-11H2,1-3H3;1-2H3
InChIKeyJEJAUUUFYYZJGQ-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine
CID 61449335
5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one
CID 61449187
N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen
CID 169213903
5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide
CID 54967192
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
3-[(4-ethylcyclohexyl)-methylamino]propanenitrile
CID 61450909
N-methyl-N-pentylcyclobutanamine
CID 142562644
4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 54948412
N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412330
N-butyl-1-iodo-N-methylpiperidin-4-amine
CID 155472460
N-butyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53410849
1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine
CID 54948683

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane?
The IUPAC name of N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane (CID 155582825) is N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane.
What is the SMILES notation for N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane?
The canonical SMILES for N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane is CC.CCCCN(C)C1CCC(CC)CC1.
What is the InChIKey of N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane?
The InChIKey is JEJAUUUFYYZJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.C2H6/c1-4-6-11-14(3)13-9-7-12(5-2)8-10-13;1-2/h12-13H,4-11H2,1-3H3;1-2H3.
What are the key properties of N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane?
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane has a molecular weight of 227.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane is sourced from PubChem (CID 155582825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).