N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane

C14H31N — CID 142936949

IUPACN-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
SMILESCC.CCCCN(C)CC1CCCCC1
InChIInChI=1S/C12H25N.C2H6/c1-3-4-10-13(2)11-12-8-6-5-7-9-12;1-2/h12H,3-11H2,1-2H3;1-2H3
InChIKeySSQWHFXUXWMOSB-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.32
Rot. Bonds5

About N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane

N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane (PubChem CID 142936949) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
PubChem CID142936949
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
SMILESCC.CCCCN(C)CC1CCCCC1
InChIInChI=1S/C12H25N.C2H6/c1-3-4-10-13(2)11-12-8-6-5-7-9-12;1-2/h12H,3-11H2,1-2H3;1-2H3
InChIKeySSQWHFXUXWMOSB-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
N-butyl-N'-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 62557751
N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine
CID 170005611
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735
N-butyl-N-(cyclohexylmethyl)hydroxylamine
CID 172752366
N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine
CID 63656557
4-[cyclopentylmethyl(methyl)amino]butanenitrile
CID 62060389
N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride
CID 174640221
N'-(cyclopentylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62594002
N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62412368
N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55151127
N-(2-butoxyethyl)-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55248291

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane?
The IUPAC name of N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane (CID 142936949) is N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane?
The canonical SMILES for N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane is CC.CCCCN(C)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane?
The InChIKey is SSQWHFXUXWMOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C2H6/c1-3-4-10-13(2)11-12-8-6-5-7-9-12;1-2/h12H,3-11H2,1-2H3;1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane?
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane has a molecular weight of 213.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane is sourced from PubChem (CID 142936949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).