N,N-diethylcyclobutanamine;ethane

C12H29N — CID 170746144

IUPACN,N-diethylcyclobutanamine;ethane
SMILESCC.CC.CCN(CC)C1CCC1
InChIInChI=1S/C8H17N.2C2H6/c1-3-9(4-2)8-6-5-7-8;2*1-2/h8H,3-7H2,1-2H3;2*1-2H3
InChIKeyVGULXXZUAMWSPE-UHFFFAOYSA-N
MW187.37 g/mol
LogP3.93
Rot. Bonds3

About N,N-diethylcyclobutanamine;ethane

N,N-diethylcyclobutanamine;ethane (PubChem CID 170746144) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is N,N-diethylcyclobutanamine;ethane.

Molecular Properties

Compound NameN,N-diethylcyclobutanamine;ethane
PubChem CID170746144
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC NameN,N-diethylcyclobutanamine;ethane
SMILESCC.CC.CCN(CC)C1CCC1
InChIInChI=1S/C8H17N.2C2H6/c1-3-9(4-2)8-6-5-7-8;2*1-2/h8H,3-7H2,1-2H3;2*1-2H3
InChIKeyVGULXXZUAMWSPE-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethylcycloundecanamine
CID 163828609
N,N-diethyl-4-methylcyclohexan-1-amine;ethane
CID 145372894
N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride
CID 23299105
N'-cyclobutyl-N'-ethyl-N-methylethane-1,2-diamine;ethane
CID 142444471
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine
CID 83863334
N-but-3-ynyl-N-ethylcyclopentanamine
CID 63657034
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
2-[cyclopentyl(ethyl)amino]ethanethioamide
CID 43541169
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-ethylcyclohexanamine
CID 65009192
[4-(diethylamino)piperidin-1-yl]methanol
CID 89090725
ethane;N-ethyl-N-methylcyclohexanamine
CID 143070425

Frequently Asked Questions

What is the IUPAC name of N,N-diethylcyclobutanamine;ethane?
The IUPAC name of N,N-diethylcyclobutanamine;ethane (CID 170746144) is N,N-diethylcyclobutanamine;ethane.
What is the SMILES notation for N,N-diethylcyclobutanamine;ethane?
The canonical SMILES for N,N-diethylcyclobutanamine;ethane is CC.CC.CCN(CC)C1CCC1.
What is the InChIKey of N,N-diethylcyclobutanamine;ethane?
The InChIKey is VGULXXZUAMWSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.2C2H6/c1-3-9(4-2)8-6-5-7-8;2*1-2/h8H,3-7H2,1-2H3;2*1-2H3.
What are the key properties of N,N-diethylcyclobutanamine;ethane?
N,N-diethylcyclobutanamine;ethane has a molecular weight of 187.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylcyclobutanamine;ethane is sourced from PubChem (CID 170746144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).