(2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene

C16H34NP — CID 142832926

IUPAC(2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene
SMILESC/C=C1/CCC(P)C(N)/C1=C/C.C=C.CC.CC
InChIInChI=1S/C10H18NP.2C2H6.C2H4/c1-3-7-5-6-9(12)10(11)8(7)4-2;3*1-2/h3-4,9-10H,5-6,11-12H2,1-2H3;2*1-2H3;1-2H2/b7-3-,8-4+;;;
InChIKeyUBSDKZPRSATDAF-JTZRWUKUSA-N
MW271.43 g/mol
LogP5.10
Rot. Bonds

About (2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene

(2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene (PubChem CID 142832926) has the molecular formula C16H34NP and a molecular weight of 271.43 g/mol. Its IUPAC name is (2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene.

Molecular Properties

Compound Name(2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene
PubChem CID142832926
Molecular FormulaC16H34NP
Molecular Weight271.43 g/mol
Exact Mass271.24
IUPAC Name(2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene
SMILESC/C=C1/CCC(P)C(N)/C1=C/C.C=C.CC.CC
InChIInChI=1S/C10H18NP.2C2H6.C2H4/c1-3-7-5-6-9(12)10(11)8(7)4-2;3*1-2/h3-4,9-10H,5-6,11-12H2,1-2H3;2*1-2H3;1-2H2/b7-3-,8-4+;;;
InChIKeyUBSDKZPRSATDAF-JTZRWUKUSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-ethylidene-3-methylidenecyclopentan-1-amine
CID 143343692
N-[(E)-[(2Z)-2-ethylidene-6-phosphanylcyclohexylidene]methyl]methanimine
CID 143214136
ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane
CID 157035822
(4Z,5Z)-5-ethylidene-2-phosphanyl-4-prop-2-enylidenecyclohexan-1-amine
CID 142943306
ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane
CID 157035804
(2E,3Z)-3-ethylidene-2-prop-2-enylidene-N-prop-2-ynylcyclopentan-1-amine
CID 126547356
3-[[(2E,3Z)-2,3-di(ethylidene)cyclopentyl]amino]propanoic acid
CID 143545221
ethane;(1Z)-1-ethylidene-2,3-dimethylidenecyclopentane
CID 143020945
(1E,2Z)-1,2-di(ethylidene)cyclohexane
CID 102070913
1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone
CID 143932314
(3E,4Z)-3,4-di(ethylidene)oxane;ethane
CID 143460049
1,2-di(ethylidene)cyclopropane
CID 123857340

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene?
The IUPAC name of (2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene (CID 142832926) is (2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene.
What is the SMILES notation for (2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene?
The canonical SMILES for (2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene is C/C=C1/CCC(P)C(N)/C1=C/C.C=C.CC.CC.
What is the InChIKey of (2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene?
The InChIKey is UBSDKZPRSATDAF-JTZRWUKUSA-N. The full InChI is InChI=1S/C10H18NP.2C2H6.C2H4/c1-3-7-5-6-9(12)10(11)8(7)4-2;3*1-2/h3-4,9-10H,5-6,11-12H2,1-2H3;2*1-2H3;1-2H2/b7-3-,8-4+;;;.
What are the key properties of (2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene?
(2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene has a molecular weight of 271.43 g/mol, XLogP of 5.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2,3-di(ethylidene)-6-phosphanylcyclohexan-1-amine;ethane;ethene is sourced from PubChem (CID 142832926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).