2-methanimidoylcyclohepten-1-amine

C8H14N2 — CID 126605800

IUPAC2-methanimidoylcyclohepten-1-amine
SMILES[H]/N=C/C1=C(N)CCCCC1
InChIInChI=1S/C8H14N2/c9-6-7-4-2-1-3-5-8(7)10/h6,9H,1-5,10H2/b9-6+
InChIKeyMYBBNXFGLQTRMR-RMKNXTFCSA-N
MW138.21 g/mol
LogP1.81
Rot. Bonds1

About 2-methanimidoylcyclohepten-1-amine

2-methanimidoylcyclohepten-1-amine (PubChem CID 126605800) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-methanimidoylcyclohepten-1-amine.

Molecular Properties

Compound Name2-methanimidoylcyclohepten-1-amine
PubChem CID126605800
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-methanimidoylcyclohepten-1-amine
SMILES[H]/N=C/C1=C(N)CCCCC1
InChIInChI=1S/C8H14N2/c9-6-7-4-2-1-3-5-8(7)10/h6,9H,1-5,10H2/b9-6+
InChIKeyMYBBNXFGLQTRMR-RMKNXTFCSA-N
XLogP1.81
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methanimidoylcyclohexen-1-amine
CID 142160083
(1Z)-cyclodecene-1,2-diamine
CID 89062858
3-amino-2-methanimidoylcyclohex-2-en-1-ol
CID 143567997
2-(2-aminocycloocten-1-yl)cycloocten-1-amine
CID 151733576
2-(ethyliminomethyl)cyclohexen-1-amine
CID 89395306
methyl 3-(4-amino-3-methanimidoylcyclohex-3-en-1-yl)-3-oxopropanoate
CID 146250554
2-aminocyclopentene-1-carbonitrile;methanimidamide
CID 160641869
1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-5-methanimidoyl-3,6-dihydro-2H-pyridin-4-amine
CID 135160461
2,6-dimethanimidoylpyridin-4-amine
CID 119083669
ethane;2-(C-phosphanylcarbonimidoyl)cyclohexen-1-amine
CID 142128352
2-methoxycycloheptene-1-carbaldehyde
CID 14143561
6-methanimidoylcyclohexa-1,5-dien-1-amine
CID 142103720

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoylcyclohepten-1-amine?
The IUPAC name of 2-methanimidoylcyclohepten-1-amine (CID 126605800) is 2-methanimidoylcyclohepten-1-amine.
What is the SMILES notation for 2-methanimidoylcyclohepten-1-amine?
The canonical SMILES for 2-methanimidoylcyclohepten-1-amine is [H]/N=C/C1=C(N)CCCCC1.
What is the InChIKey of 2-methanimidoylcyclohepten-1-amine?
The InChIKey is MYBBNXFGLQTRMR-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H14N2/c9-6-7-4-2-1-3-5-8(7)10/h6,9H,1-5,10H2/b9-6+.
What are the key properties of 2-methanimidoylcyclohepten-1-amine?
2-methanimidoylcyclohepten-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoylcyclohepten-1-amine is sourced from PubChem (CID 126605800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).