ethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine

C17H35N — CID 142295218

IUPACethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine
SMILESC/C=C(CC)\N=C(C)\C(=C/C)C(C)C.CC.CC
InChIInChI=1S/C13H23N.2C2H6/c1-7-12(8-2)14-11(6)13(9-3)10(4)5;2*1-2/h7,9-10H,8H2,1-6H3;2*1-2H3/b12-7-,13-9-,14-11+;;
InChIKeyBSOUWCVZRJAIHF-QCUTYYNRSA-N
MW253.47 g/mol
LogP6.42
Rot. Bonds4

About ethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine

ethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine (PubChem CID 142295218) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is ethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine.

Molecular Properties

Compound Nameethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine
PubChem CID142295218
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Nameethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine
SMILESC/C=C(CC)\N=C(C)\C(=C/C)C(C)C.CC.CC
InChIInChI=1S/C13H23N.2C2H6/c1-7-12(8-2)14-11(6)13(9-3)10(4)5;2*1-2/h7,9-10H,8H2,1-6H3;2*1-2H3/b12-7-,13-9-,14-11+;;
InChIKeyBSOUWCVZRJAIHF-QCUTYYNRSA-N
XLogP6.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine
CID 174292959
2,5-di(propan-2-yl)-3H-pyrrole
CID 58428380
3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine
CID 88884465
(Z)-4,6-dimethyl-N-prop-1-en-2-ylhept-3-en-2-imine
CID 89319148
(3Z)-3-(2-ethylbutylidene)-2-methyl-6-propan-2-yl-4H-pyridine
CID 91146280
(Z)-6-methyl-N-[(Z)-5-methylhex-2-en-3-yl]hept-2-en-4-imine
CID 130336782
(3Z,6Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-5-prop-1-enylnona-3,6-dien-2-imine
CID 134258002
(E)-4,5-dimethyl-N-prop-1-en-2-ylhex-3-en-2-imine
CID 134604866
3-ethyl-4-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 139297827
ethane;(E)-N-[(E)-hex-2-en-2-yl]-3-methylhex-2-en-1-imine;2-methylpentane
CID 141877953
(Z)-N-but-1-en-2-yl-5-methylhept-3-en-2-imine;ethane;3-methylhexane;pentane
CID 142120230
7-(2,2-dimethylpropyl)-2,5-dimethyl-4H-azepine
CID 142233577

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine?
The IUPAC name of ethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine (CID 142295218) is ethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine.
What is the SMILES notation for ethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine?
The canonical SMILES for ethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine is C/C=C(CC)\N=C(C)\C(=C/C)C(C)C.CC.CC.
What is the InChIKey of ethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine?
The InChIKey is BSOUWCVZRJAIHF-QCUTYYNRSA-N. The full InChI is InChI=1S/C13H23N.2C2H6/c1-7-12(8-2)14-11(6)13(9-3)10(4)5;2*1-2/h7,9-10H,8H2,1-6H3;2*1-2H3/b12-7-,13-9-,14-11+;;.
What are the key properties of ethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine?
ethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine has a molecular weight of 253.47 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-[(Z)-pent-2-en-3-yl]-3-propan-2-ylpent-3-en-2-imine is sourced from PubChem (CID 142295218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).