ethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine

C15H35N2P — CID 142832956

IUPACethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine
SMILESCC.CC.CC.[H]/N=C1\CCC(P)C(N)\C1=C\CC
InChIInChI=1S/C9H17N2P.3C2H6/c1-2-3-6-7(10)4-5-8(12)9(6)11;3*1-2/h3,8-10H,2,4-5,11-12H2,1H3;3*1-2H3/b6-3+,10-7+;;;
InChIKeyGMGZHFGHAGKOQV-DHXVFBGOSA-N
MW274.43 g/mol
LogP4.79
Rot. Bonds1

About ethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine

ethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine (PubChem CID 142832956) has the molecular formula C15H35N2P and a molecular weight of 274.43 g/mol. Its IUPAC name is ethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine.

Molecular Properties

Compound Nameethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine
PubChem CID142832956
Molecular FormulaC15H35N2P
Molecular Weight274.43 g/mol
Exact Mass274.25
IUPAC Nameethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine
SMILESCC.CC.CC.[H]/N=C1\CCC(P)C(N)\C1=C\CC
InChIInChI=1S/C9H17N2P.3C2H6/c1-2-3-6-7(10)4-5-8(12)9(6)11;3*1-2/h3,8-10H,2,4-5,11-12H2,1H3;3*1-2H3/b6-3+,10-7+;;;
InChIKeyGMGZHFGHAGKOQV-DHXVFBGOSA-N
XLogP4.79
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine?
The IUPAC name of ethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine (CID 142832956) is ethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine.
What is the SMILES notation for ethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine?
The canonical SMILES for ethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine is CC.CC.CC.[H]/N=C1\CCC(P)C(N)\C1=C\CC.
What is the InChIKey of ethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine?
The InChIKey is GMGZHFGHAGKOQV-DHXVFBGOSA-N. The full InChI is InChI=1S/C9H17N2P.3C2H6/c1-2-3-6-7(10)4-5-8(12)9(6)11;3*1-2/h3,8-10H,2,4-5,11-12H2,1H3;3*1-2H3/b6-3+,10-7+;;;.
What are the key properties of ethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine?
ethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine is sourced from PubChem (CID 142832956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).