(4-methylidenecyclobut-2-en-1-yl)methanamine

C6H9N — CID 163953951

IUPAC(4-methylidenecyclobut-2-en-1-yl)methanamine
SMILESC=C1C=CC1CN
InChIInChI=1S/C6H9N/c1-5-2-3-6(5)4-7/h2-3,6H,1,4,7H2
InChIKeySBSKDBHBVJHTII-UHFFFAOYSA-N
MW95.14 g/mol
LogP0.69
Rot. Bonds1

About (4-methylidenecyclobut-2-en-1-yl)methanamine

(4-methylidenecyclobut-2-en-1-yl)methanamine (PubChem CID 163953951) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is (4-methylidenecyclobut-2-en-1-yl)methanamine.

Molecular Properties

Compound Name(4-methylidenecyclobut-2-en-1-yl)methanamine
PubChem CID163953951
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name(4-methylidenecyclobut-2-en-1-yl)methanamine
SMILESC=C1C=CC1CN
InChIInChI=1S/C6H9N/c1-5-2-3-6(5)4-7/h2-3,6H,1,4,7H2
InChIKeySBSKDBHBVJHTII-UHFFFAOYSA-N
XLogP0.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67915005
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(2,3-dibenzylcyclopenta-2,4-dien-1-yl)methanamine
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(4-methylidenecyclohex-2-en-1-yl)methanamine
CID 91001190
4,5-dimethylidene-1,4a-dihydronaphthalene-1,8-diamine
CID 19960712
5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole
CID 174823510
(2-ethyl-6-bicyclo[3.1.0]hex-2-enyl)methanamine
CID 165085079
6-methyl-5-methylidene-2-prop-2-enyl-2H-pyran
CID 123155935
cyclopenta-2,4-dien-1-ylmethanamine
CID 15412227
3-(1H-inden-1-yl)propan-1-amine;hydrochloride
CID 141205215
methyl 2-[(1R)-5-methylidene-4-oxocyclopent-2-en-1-yl]acetate
CID 125474230
[4-(3-phenylbuta-1,3-dien-2-yl)cyclohexa-2,4-dien-1-yl]methanamine
CID 89044109

Frequently Asked Questions

What is the IUPAC name of (4-methylidenecyclobut-2-en-1-yl)methanamine?
The IUPAC name of (4-methylidenecyclobut-2-en-1-yl)methanamine (CID 163953951) is (4-methylidenecyclobut-2-en-1-yl)methanamine.
What is the SMILES notation for (4-methylidenecyclobut-2-en-1-yl)methanamine?
The canonical SMILES for (4-methylidenecyclobut-2-en-1-yl)methanamine is C=C1C=CC1CN.
What is the InChIKey of (4-methylidenecyclobut-2-en-1-yl)methanamine?
The InChIKey is SBSKDBHBVJHTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-5-2-3-6(5)4-7/h2-3,6H,1,4,7H2.
What are the key properties of (4-methylidenecyclobut-2-en-1-yl)methanamine?
(4-methylidenecyclobut-2-en-1-yl)methanamine has a molecular weight of 95.14 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidenecyclobut-2-en-1-yl)methanamine is sourced from PubChem (CID 163953951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).