2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine

C11H16N2 — CID 142271471

IUPAC2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESCC(C)/C=N/C1=C(N)C=CC2CC12
InChIInChI=1S/C11H16N2/c1-7(2)6-13-11-9-5-8(9)3-4-10(11)12/h3-4,6-9H,5,12H2,1-2H3/b13-6+
InChIKeyPSRRQLAGUIRMHD-AWNIVKPZSA-N
MW176.26 g/mol
LogP2.09
Rot. Bonds2

About 2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine

2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine (PubChem CID 142271471) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine.

Molecular Properties

Compound Name2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine
PubChem CID142271471
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESCC(C)/C=N/C1=C(N)C=CC2CC12
InChIInChI=1S/C11H16N2/c1-7(2)6-13-11-9-5-8(9)3-4-10(11)12/h3-4,6-9H,5,12H2,1-2H3/b13-6+
InChIKeyPSRRQLAGUIRMHD-AWNIVKPZSA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene
CID 123351395
3-[[(Z)-but-2-enylidene]amino]-6-methylcyclohexa-1,3-dien-1-amine
CID 129060085
2-Ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine
CID 139334574
Ethane;3-methyl-7a,8-dihydrocyclopropa[e]quinoxaline
CID 143408640
[5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine
CID 144615014
3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine
CID 163740599
(7Z)-4,12-dimethyl-2-azabicyclo[7.3.2]tetradeca-1(13),2,5,7,9-pentaen-6-amine
CID 173835227
4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine
CID 143767817
2-(3-Methylbutylideneamino)cyclohexa-1,3-dien-1-amine
CID 144145298

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine?
The IUPAC name of 2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine (CID 142271471) is 2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine.
What is the SMILES notation for 2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine?
The canonical SMILES for 2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine is CC(C)/C=N/C1=C(N)C=CC2CC12.
What is the InChIKey of 2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine?
The InChIKey is PSRRQLAGUIRMHD-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H16N2/c1-7(2)6-13-11-9-5-8(9)3-4-10(11)12/h3-4,6-9H,5,12H2,1-2H3/b13-6+.
What are the key properties of 2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine?
2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine has a molecular weight of 176.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine is sourced from PubChem (CID 142271471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).