ethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine

C14H30N2 — CID 166120308

IUPACethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine
SMILESCC.CC.[H]/N=C/C=C(\N)C1CCC(C)CC1
InChIInChI=1S/C10H18N2.2C2H6/c1-8-2-4-9(5-3-8)10(12)6-7-11;2*1-2/h6-9,11H,2-5,12H2,1H3;2*1-2H3/b10-6-,11-7+;;
InChIKeyHSBHHCAUHIVRPN-ZKEATHAOSA-N
MW226.41 g/mol
LogP4.36
Rot. Bonds2

About ethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine

ethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine (PubChem CID 166120308) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is ethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine
PubChem CID166120308
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Nameethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine
SMILESCC.CC.[H]/N=C/C=C(\N)C1CCC(C)CC1
InChIInChI=1S/C10H18N2.2C2H6/c1-8-2-4-9(5-3-8)10(12)6-7-11;2*1-2/h6-9,11H,2-5,12H2,1H3;2*1-2H3/b10-6-,11-7+;;
InChIKeyHSBHHCAUHIVRPN-ZKEATHAOSA-N
XLogP4.36
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine?
The IUPAC name of ethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine (CID 166120308) is ethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine?
The canonical SMILES for ethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine is CC.CC.[H]/N=C/C=C(\N)C1CCC(C)CC1.
What is the InChIKey of ethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine?
The InChIKey is HSBHHCAUHIVRPN-ZKEATHAOSA-N. The full InChI is InChI=1S/C10H18N2.2C2H6/c1-8-2-4-9(5-3-8)10(12)6-7-11;2*1-2/h6-9,11H,2-5,12H2,1H3;2*1-2H3/b10-6-,11-7+;;.
What are the key properties of ethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine?
ethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine has a molecular weight of 226.41 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-imino-1-(4-methylcyclohexyl)prop-1-en-1-amine is sourced from PubChem (CID 166120308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).