N-(cyclobutylmethyl)ethanamine;ethane

C9H21N — CID 171530006

IUPACN-(cyclobutylmethyl)ethanamine;ethane
SMILESCC.CCNCC1CCC1
InChIInChI=1S/C7H15N.C2H6/c1-2-8-6-7-4-3-5-7;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyJIAZVMSQVAKRND-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.42
Rot. Bonds3

About N-(cyclobutylmethyl)ethanamine;ethane

N-(cyclobutylmethyl)ethanamine;ethane (PubChem CID 171530006) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N-(cyclobutylmethyl)ethanamine;ethane.

Molecular Properties

Compound NameN-(cyclobutylmethyl)ethanamine;ethane
PubChem CID171530006
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN-(cyclobutylmethyl)ethanamine;ethane
SMILESCC.CCNCC1CCC1
InChIInChI=1S/C7H15N.C2H6/c1-2-8-6-7-4-3-5-7;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyJIAZVMSQVAKRND-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Diisoamylamine
CID 10988
1-Butanamine, 2-methyl-N-(2-methylbutyl)-
CID 12418701
N-(2-Methylbutyl)pentan-1-amine
CID 43200840
1,4-Butanediamine, N-isopentyl-
CID 56229
1,5-Pentanediamine, N-(3-methylbutyl)-, dihydrochloride
CID 204874
(Cyclobutylmethyl)(methyl)amine
CID 19830271
N-(3-methylbutyl)pentane-1,5-diamine
CID 204875
1-Hexanamine, N-(2-methylpropyl)-
CID 10464570
Ethyl(2-ethylbutyl)amine
CID 24703963
(Cyclobutylmethyl)(methyl)amine hydrochloride
CID 50988531
N'-[3-[3-(cyclobutylmethylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 11778649
Diisopentylammonium chloride
CID 71095

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)ethanamine;ethane?
The IUPAC name of N-(cyclobutylmethyl)ethanamine;ethane (CID 171530006) is N-(cyclobutylmethyl)ethanamine;ethane.
What is the SMILES notation for N-(cyclobutylmethyl)ethanamine;ethane?
The canonical SMILES for N-(cyclobutylmethyl)ethanamine;ethane is CC.CCNCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)ethanamine;ethane?
The InChIKey is JIAZVMSQVAKRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2H6/c1-2-8-6-7-4-3-5-7;1-2/h7-8H,2-6H2,1H3;1-2H3.
What are the key properties of N-(cyclobutylmethyl)ethanamine;ethane?
N-(cyclobutylmethyl)ethanamine;ethane has a molecular weight of 143.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)ethanamine;ethane is sourced from PubChem (CID 171530006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).