ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine

C12H23N — CID 143978503

IUPACethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine
SMILESC=C(C)CC(=C/CC)/N=C/C.CC
InChIInChI=1S/C10H17N.C2H6/c1-5-7-10(11-6-2)8-9(3)4;1-2/h6-7H,3,5,8H2,1-2,4H3;1-2H3/b10-7-,11-6+;
InChIKeyFBIXVJRDMIORPX-FNIBXIKSSA-N
MW181.32 g/mol
LogP4.36
Rot. Bonds4

About ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine

ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine (PubChem CID 143978503) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine
PubChem CID143978503
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Nameethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine
SMILESC=C(C)CC(=C/CC)/N=C/C.CC
InChIInChI=1S/C10H17N.C2H6/c1-5-7-10(11-6-2)8-9(3)4;1-2/h6-7H,3,5,8H2,1-2,4H3;1-2H3/b10-7-,11-6+;
InChIKeyFBIXVJRDMIORPX-FNIBXIKSSA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hept-3-en-4-ylethanimine
CID 123818491
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CID 142082963
ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
CID 142520948
N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine
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N-[(3E)-hexa-1,3-dien-2-yl]ethanimine
CID 148865556
2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89323000
N-[(E)-hex-3-en-3-yl]methanimine
CID 130348791
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CID 164916577
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
(Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine
CID 167486384
(E)-2-[[(Z)-but-2-enylidene]amino]-N-methylpent-2-en-1-amine
CID 166976303

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine?
The IUPAC name of ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine (CID 143978503) is ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine.
What is the SMILES notation for ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine?
The canonical SMILES for ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine is C=C(C)CC(=C/CC)/N=C/C.CC.
What is the InChIKey of ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine?
The InChIKey is FBIXVJRDMIORPX-FNIBXIKSSA-N. The full InChI is InChI=1S/C10H17N.C2H6/c1-5-7-10(11-6-2)8-9(3)4;1-2/h6-7H,3,5,8H2,1-2,4H3;1-2H3/b10-7-,11-6+;.
What are the key properties of ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine?
ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine has a molecular weight of 181.32 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine is sourced from PubChem (CID 143978503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).