ethane;formamide;4-methylcyclohexan-1-amine

C10H24N2O — CID 143062765

IUPACethane;formamide;4-methylcyclohexan-1-amine
SMILESCC.CC1CCC(N)CC1.NC=O
InChIInChI=1S/C7H15N.C2H6.CH3NO/c1-6-2-4-7(8)5-3-6;1-2;2-1-3/h6-7H,2-5,8H2,1H3;1-2H3;1H,(H2,2,3)
InChIKeyXSBXUOOYJANHRR-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.65
Rot. Bonds

About ethane;formamide;4-methylcyclohexan-1-amine

ethane;formamide;4-methylcyclohexan-1-amine (PubChem CID 143062765) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is ethane;formamide;4-methylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;formamide;4-methylcyclohexan-1-amine
PubChem CID143062765
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Nameethane;formamide;4-methylcyclohexan-1-amine
SMILESCC.CC1CCC(N)CC1.NC=O
InChIInChI=1S/C7H15N.C2H6.CH3NO/c1-6-2-4-7(8)5-3-6;1-2;2-1-3/h6-7H,2-5,8H2,1H3;1-2H3;1H,(H2,2,3)
InChIKeyXSBXUOOYJANHRR-UHFFFAOYSA-N
XLogP1.65
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;formamide;4-methylcyclohexan-1-amine?
The IUPAC name of ethane;formamide;4-methylcyclohexan-1-amine (CID 143062765) is ethane;formamide;4-methylcyclohexan-1-amine.
What is the SMILES notation for ethane;formamide;4-methylcyclohexan-1-amine?
The canonical SMILES for ethane;formamide;4-methylcyclohexan-1-amine is CC.CC1CCC(N)CC1.NC=O.
What is the InChIKey of ethane;formamide;4-methylcyclohexan-1-amine?
The InChIKey is XSBXUOOYJANHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2H6.CH3NO/c1-6-2-4-7(8)5-3-6;1-2;2-1-3/h6-7H,2-5,8H2,1H3;1-2H3;1H,(H2,2,3).
What are the key properties of ethane;formamide;4-methylcyclohexan-1-amine?
ethane;formamide;4-methylcyclohexan-1-amine has a molecular weight of 188.31 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formamide;4-methylcyclohexan-1-amine is sourced from PubChem (CID 143062765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).