1-(3-methylidenecyclobutyl)ethanamine

C7H13N — CID 143709604

IUPAC1-(3-methylidenecyclobutyl)ethanamine
SMILESC=C1CC(C(C)N)C1
InChIInChI=1S/C7H13N/c1-5-3-7(4-5)6(2)8/h6-7H,1,3-4,8H2,2H3
InChIKeyHTWZGGBDRLWXIJ-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.30
Rot. Bonds1

About 1-(3-methylidenecyclobutyl)ethanamine

1-(3-methylidenecyclobutyl)ethanamine (PubChem CID 143709604) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-(3-methylidenecyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(3-methylidenecyclobutyl)ethanamine
PubChem CID143709604
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-(3-methylidenecyclobutyl)ethanamine
SMILESC=C1CC(C(C)N)C1
InChIInChI=1S/C7H13N/c1-5-3-7(4-5)6(2)8/h6-7H,1,3-4,8H2,2H3
InChIKeyHTWZGGBDRLWXIJ-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Methylhex-5-en-2-amine
CID 12463571
1-Cyclobutylprop-2-en-1-amine hydrochloride
CID 139269864
1-(3-Methylidenecyclobutyl)ethan-1-amine hydrochloride
CID 165981974
(3-Methylenecyclobutyl)methylamine
CID 17750082
1-Cyclobutylprop-2-en-1-amine
CID 55295072
(3-Fluoro-3-prop-1-en-2-ylcyclobutyl)methanamine
CID 169561794
3-Fluoro-3-prop-1-en-2-ylcyclobutan-1-amine
CID 112564198
1-[3-(Difluoromethylidene)cyclobutyl]ethanamine
CID 176214154
4-Methylidenehexan-2-amine
CID 55254565
(2R)-5,6-dimethylhept-6-en-2-amine
CID 59106212
3,4-Dimethylpent-4-en-2-amine
CID 88233912
3-Prop-2-enylcyclobutan-1-amine
CID 88999347

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylidenecyclobutyl)ethanamine?
The IUPAC name of 1-(3-methylidenecyclobutyl)ethanamine (CID 143709604) is 1-(3-methylidenecyclobutyl)ethanamine.
What is the SMILES notation for 1-(3-methylidenecyclobutyl)ethanamine?
The canonical SMILES for 1-(3-methylidenecyclobutyl)ethanamine is C=C1CC(C(C)N)C1.
What is the InChIKey of 1-(3-methylidenecyclobutyl)ethanamine?
The InChIKey is HTWZGGBDRLWXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-3-7(4-5)6(2)8/h6-7H,1,3-4,8H2,2H3.
What are the key properties of 1-(3-methylidenecyclobutyl)ethanamine?
1-(3-methylidenecyclobutyl)ethanamine has a molecular weight of 111.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylidenecyclobutyl)ethanamine is sourced from PubChem (CID 143709604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).