3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine

C11H20ClN — CID 106438249

IUPAC3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine
SMILESCCC1(CNCC(C)=CCl)CCC1
InChIInChI=1S/C11H20ClN/c1-3-11(5-4-6-11)9-13-8-10(2)7-12/h7,13H,3-6,8-9H2,1-2H3
InChIKeyXFUQDAPTBHLIQC-UHFFFAOYSA-N
MW201.74 g/mol
LogP3.30
Rot. Bonds5

About 3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine

3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine (PubChem CID 106438249) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine
PubChem CID106438249
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine
SMILESCCC1(CNCC(C)=CCl)CCC1
InChIInChI=1S/C11H20ClN/c1-3-11(5-4-6-11)9-13-8-10(2)7-12/h7,13H,3-6,8-9H2,1-2H3
InChIKeyXFUQDAPTBHLIQC-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-3-methylbut-2-en-1-amine
CID 106547276
N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 65194759
[1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol
CID 115359482
3-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-2-methylprop-2-en-1-amine
CID 106438250
2-[1-(aminomethyl)cyclohexyl]-N-[(1-ethylcyclopropyl)methyl]ethanamine
CID 114100611
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide
CID 138013303
[2-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]cyclopentyl]methanol
CID 106437857
N-[(1-ethylcyclobutyl)methyl]-1-(4-methyloxan-4-yl)methanamine
CID 104586482
N-[(1-ethylcyclopentyl)methyl]-2-(methylamino)acetamide
CID 103812596
acetaldehyde;1,1-diethylcyclopentane;molecular hydrogen;propan-2-one
CID 143490396
3-chloro-2-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 106437777
N-[(1-ethylcyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 114125061

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of 3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine (CID 106438249) is 3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine is CCC1(CNCC(C)=CCl)CCC1.
What is the InChIKey of 3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine?
The InChIKey is XFUQDAPTBHLIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN/c1-3-11(5-4-6-11)9-13-8-10(2)7-12/h7,13H,3-6,8-9H2,1-2H3.
What are the key properties of 3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine?
3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine has a molecular weight of 201.74 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106438249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).