(1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine

C13H24N2 — CID 134987519

IUPAC(1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine
SMILESC/C=C/C=C(/N(CCC)CCC)N1CC1
InChIInChI=1S/C13H24N2/c1-4-7-8-13(15-11-12-15)14(9-5-2)10-6-3/h4,7-8H,5-6,9-12H2,1-3H3/b7-4+,13-8-
InChIKeyPAFZDIZWQIUPSM-XOHVCTMJSA-N
MW208.35 g/mol
LogP2.84
Rot. Bonds7

About (1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine

(1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine (PubChem CID 134987519) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine
PubChem CID134987519
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine
SMILESC/C=C/C=C(/N(CCC)CCC)N1CC1
InChIInChI=1S/C13H24N2/c1-4-7-8-13(15-11-12-15)14(9-5-2)10-6-3/h4,7-8H,5-6,9-12H2,1-3H3/b7-4+,13-8-
InChIKeyPAFZDIZWQIUPSM-XOHVCTMJSA-N
XLogP2.84
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3E)-1-morpholin-4-yl-N,N-dipropylpenta-1,3-dien-1-amine
CID 134923533
1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine
CID 167290609
4-ethyl-N,N-dipropylpiperazine-1-carboxamide
CID 108988508
1-methyl-4-pent-2-en-3-ylpiperazine
CID 123450021
(E)-N,N-dipropylbut-2-enamide
CID 21329403
(2Z,4Z,6Z)-3-N,3-N-dipropylocta-2,4,6-triene-1,3-diamine
CID 166844209
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157923
4-methyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,4-diazepane-1-carboxamide
CID 143501797
(2Z)-2-[(E)-but-2-enylidene]-1-pyrrolidin-1-yloctan-1-one
CID 132523022
3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N,N-dipropylpropanamide
CID 108961072
N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]propan-1-amine
CID 45087803
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142829570

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine (CID 134987519) is (1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine is C/C=C/C=C(/N(CCC)CCC)N1CC1.
What is the InChIKey of (1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine?
The InChIKey is PAFZDIZWQIUPSM-XOHVCTMJSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-7-8-13(15-11-12-15)14(9-5-2)10-6-3/h4,7-8H,5-6,9-12H2,1-3H3/b7-4+,13-8-.
What are the key properties of (1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine?
(1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-(aziridin-1-yl)-N,N-dipropylpenta-1,3-dien-1-amine is sourced from PubChem (CID 134987519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).