N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine

C16H29N3 — CID 159102531

IUPACN'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine
SMILESC=CC(=C)/N=C(\C)NC(=C)/C=C\C.CCCN(C)C
InChIInChI=1S/C11H16N2.C5H13N/c1-6-8-10(4)13-11(5)12-9(3)7-2;1-4-5-6(2)3/h6-8H,2-4H2,1,5H3,(H,12,13);4-5H2,1-3H3/b8-6-;
InChIKeyKDLSEASCRSRJCY-PHZXCRFESA-N
MW263.43 g/mol
LogP3.74
Rot. Bonds6

About N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine

N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine (PubChem CID 159102531) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine.

Molecular Properties

Compound NameN'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine
PubChem CID159102531
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine
SMILESC=CC(=C)/N=C(\C)NC(=C)/C=C\C.CCCN(C)C
InChIInChI=1S/C11H16N2.C5H13N/c1-6-8-10(4)13-11(5)12-9(3)7-2;1-4-5-6(2)3/h6-8H,2-4H2,1,5H3,(H,12,13);4-5H2,1-3H3/b8-6-;
InChIKeyKDLSEASCRSRJCY-PHZXCRFESA-N
XLogP3.74
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylpropan-1-amine;bis(prop-2-enamide)
CID 158610265
N-penta-1,3-dien-2-yl-N'-phenylethanimidamide
CID 123975051
N'-methyl-N-[(3Z)-nona-1,3,6,8-tetraen-2-yl]ethanimidamide
CID 143658325
acetic acid;azane;N,N-dimethylpropan-1-amine
CID 89442730
(E)-N,N-dipropylbut-2-enamide
CID 21329403
N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
CID 123701071
3-[(4Z,6Z)-3-methylideneocta-1,4,6-trien-2-yl]-1,1-dipropylthiourea
CID 155053625
ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine
CID 178019036
(3Z,5Z)-3-N-ethyl-3-N-methylhepta-1,3,5-triene-3,4-diamine
CID 142864476
(6Z)-3,5-dimethylideneocta-1,6-diene
CID 142353486
(3E)-N-propan-2-ylpenta-1,3-dien-2-amine
CID 126549325
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
CID 91268844

Frequently Asked Questions

What is the IUPAC name of N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine?
The IUPAC name of N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine (CID 159102531) is N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine.
What is the SMILES notation for N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine?
The canonical SMILES for N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine is C=CC(=C)/N=C(\C)NC(=C)/C=C\C.CCCN(C)C.
What is the InChIKey of N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine?
The InChIKey is KDLSEASCRSRJCY-PHZXCRFESA-N. The full InChI is InChI=1S/C11H16N2.C5H13N/c1-6-8-10(4)13-11(5)12-9(3)7-2;1-4-5-6(2)3/h6-8H,2-4H2,1,5H3,(H,12,13);4-5H2,1-3H3/b8-6-;.
What are the key properties of N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine?
N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide;N,N-dimethylpropan-1-amine is sourced from PubChem (CID 159102531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).