(4-methylcyclohexylidene)methanamine

C8H15N — CID 19962593

IUPAC(4-methylcyclohexylidene)methanamine
SMILESCC1CCC(=CN)CC1
InChIInChI=1S/C8H15N/c1-7-2-4-8(6-9)5-3-7/h6-7H,2-5,9H2,1H3/b8-6-
InChIKeyNBTIDDFQSPXILK-VURMDHGXSA-N
MW125.21 g/mol
LogP2.04
Rot. Bonds

About (4-methylcyclohexylidene)methanamine

(4-methylcyclohexylidene)methanamine (PubChem CID 19962593) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (4-methylcyclohexylidene)methanamine.

Molecular Properties

Compound Name(4-methylcyclohexylidene)methanamine
PubChem CID19962593
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(4-methylcyclohexylidene)methanamine
SMILESCC1CCC(=CN)CC1
InChIInChI=1S/C8H15N/c1-7-2-4-8(6-9)5-3-7/h6-7H,2-5,9H2,1H3/b8-6-
InChIKeyNBTIDDFQSPXILK-VURMDHGXSA-N
XLogP2.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexylidene)methanamine?
The IUPAC name of (4-methylcyclohexylidene)methanamine (CID 19962593) is (4-methylcyclohexylidene)methanamine.
What is the SMILES notation for (4-methylcyclohexylidene)methanamine?
The canonical SMILES for (4-methylcyclohexylidene)methanamine is CC1CCC(=CN)CC1.
What is the InChIKey of (4-methylcyclohexylidene)methanamine?
The InChIKey is NBTIDDFQSPXILK-VURMDHGXSA-N. The full InChI is InChI=1S/C8H15N/c1-7-2-4-8(6-9)5-3-7/h6-7H,2-5,9H2,1H3/b8-6-.
What are the key properties of (4-methylcyclohexylidene)methanamine?
(4-methylcyclohexylidene)methanamine has a molecular weight of 125.21 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexylidene)methanamine is sourced from PubChem (CID 19962593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).