ethane;(3Z)-hexa-1,3-dien-2-amine;propane

C11H25N — CID 144512893

IUPACethane;(3Z)-hexa-1,3-dien-2-amine;propane
SMILESC=C(N)/C=C\CC.CC.CCC
InChIInChI=1S/C6H11N.C3H8.C2H6/c1-3-4-5-6(2)7;1-3-2;1-2/h4-5H,2-3,7H2,1H3;3H2,1-2H3;1-2H3/b5-4-;;
InChIKeyRBNCIRZMOJDSKS-WNCVTPEDSA-N
MW171.33 g/mol
LogP3.87
Rot. Bonds2

About ethane;(3Z)-hexa-1,3-dien-2-amine;propane

ethane;(3Z)-hexa-1,3-dien-2-amine;propane (PubChem CID 144512893) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is ethane;(3Z)-hexa-1,3-dien-2-amine;propane.

Molecular Properties

Compound Nameethane;(3Z)-hexa-1,3-dien-2-amine;propane
PubChem CID144512893
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Nameethane;(3Z)-hexa-1,3-dien-2-amine;propane
SMILESC=C(N)/C=C\CC.CC.CCC
InChIInChI=1S/C6H11N.C3H8.C2H6/c1-3-4-5-6(2)7;1-3-2;1-2/h4-5H,2-3,7H2,1H3;3H2,1-2H3;1-2H3/b5-4-;;
InChIKeyRBNCIRZMOJDSKS-WNCVTPEDSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
ethane;(4Z)-2-methylhepta-2,4-dien-3-amine
CID 145261279
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
acetylene;ethane;(2Z,6Z)-5-methylidenenona-2,6-diene
CID 143840325
(3Z)-5-methylhexa-1,3,5-trien-2-amine
CID 87058792
(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
CID 88993026
(E)-5-methylidenenon-3-ene
CID 173104879
(3Z,5Z)-2-methylideneocta-3,5-dien-1-amine
CID 143910764
pent-2-enimidamide
CID 74821450
(3Z,5Z)-4-methyl-2-methylideneocta-3,5-dienamide
CID 130215416
ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene
CID 143724412
N-[(3E)-hexa-1,3-dien-2-yl]ethanimine
CID 148865556

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-hexa-1,3-dien-2-amine;propane?
The IUPAC name of ethane;(3Z)-hexa-1,3-dien-2-amine;propane (CID 144512893) is ethane;(3Z)-hexa-1,3-dien-2-amine;propane.
What is the SMILES notation for ethane;(3Z)-hexa-1,3-dien-2-amine;propane?
The canonical SMILES for ethane;(3Z)-hexa-1,3-dien-2-amine;propane is C=C(N)/C=C\CC.CC.CCC.
What is the InChIKey of ethane;(3Z)-hexa-1,3-dien-2-amine;propane?
The InChIKey is RBNCIRZMOJDSKS-WNCVTPEDSA-N. The full InChI is InChI=1S/C6H11N.C3H8.C2H6/c1-3-4-5-6(2)7;1-3-2;1-2/h4-5H,2-3,7H2,1H3;3H2,1-2H3;1-2H3/b5-4-;;.
What are the key properties of ethane;(3Z)-hexa-1,3-dien-2-amine;propane?
ethane;(3Z)-hexa-1,3-dien-2-amine;propane has a molecular weight of 171.33 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-hexa-1,3-dien-2-amine;propane is sourced from PubChem (CID 144512893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).