ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine

C11H22N2 — CID 142966093

IUPACethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine
SMILESC=C/C(C)=C\C(CN)=C(/C)N.CC
InChIInChI=1S/C9H16N2.C2H6/c1-4-7(2)5-9(6-10)8(3)11;1-2/h4-5H,1,6,10-11H2,2-3H3;1-2H3/b7-5-,9-8-;
InChIKeyNIFDEEOHOZRJIB-KAVWWGJUSA-N
MW182.31 g/mol
LogP2.34
Rot. Bonds3

About ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine

ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine (PubChem CID 142966093) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine.

Molecular Properties

Compound Nameethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine
PubChem CID142966093
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine
SMILESC=C/C(C)=C\C(CN)=C(/C)N.CC
InChIInChI=1S/C9H16N2.C2H6/c1-4-7(2)5-9(6-10)8(3)11;1-2/h4-5H,1,6,10-11H2,2-3H3;1-2H3/b7-5-,9-8-;
InChIKeyNIFDEEOHOZRJIB-KAVWWGJUSA-N
XLogP2.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
CID 142018052
(2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine
CID 166837247
(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine
CID 142547585
(2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol
CID 145222265
(1Z,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 90436396
ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene
CID 145071766
(5Z)-2-amino-6-methylocta-2,5,7-trien-4-one
CID 163530566
ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine
CID 142547594
(2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine
CID 142547597
(1E,3Z)-2-chloro-4-methylhexa-1,3,5-trien-1-amine
CID 89145510
3-methylpenta-2,4-dien-1-ol
CID 534959
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine?
The IUPAC name of ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine (CID 142966093) is ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine.
What is the SMILES notation for ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine?
The canonical SMILES for ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine is C=C/C(C)=C\C(CN)=C(/C)N.CC.
What is the InChIKey of ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine?
The InChIKey is NIFDEEOHOZRJIB-KAVWWGJUSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-4-7(2)5-9(6-10)8(3)11;1-2/h4-5H,1,6,10-11H2,2-3H3;1-2H3/b7-5-,9-8-;.
What are the key properties of ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine?
ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine is sourced from PubChem (CID 142966093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).