(3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine

C13H26N2 — CID 144572732

IUPAC(3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine
SMILESC=C(/C=C(/C)NCCCC)N(CC)CC
InChIInChI=1S/C13H26N2/c1-6-9-10-14-12(4)11-13(5)15(7-2)8-3/h11,14H,5-10H2,1-4H3/b12-11-
InChIKeyNMRDTRBODSAUFB-QXMHVHEDSA-N
MW210.36 g/mol
LogP3.14
Rot. Bonds8

About (3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine

(3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine (PubChem CID 144572732) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name(3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine
PubChem CID144572732
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine
SMILESC=C(/C=C(/C)NCCCC)N(CC)CC
InChIInChI=1S/C13H26N2/c1-6-9-10-14-12(4)11-13(5)15(7-2)8-3/h11,14H,5-10H2,1-4H3/b12-11-
InChIKeyNMRDTRBODSAUFB-QXMHVHEDSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(3E)-4-(diethylamino)-5-methylhexa-3,5-dien-2-one
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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine?
The IUPAC name of (3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine (CID 144572732) is (3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine.
What is the SMILES notation for (3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine?
The canonical SMILES for (3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine is C=C(/C=C(/C)NCCCC)N(CC)CC.
What is the InChIKey of (3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine?
The InChIKey is NMRDTRBODSAUFB-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-9-10-14-12(4)11-13(5)15(7-2)8-3/h11,14H,5-10H2,1-4H3/b12-11-.
What are the key properties of (3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine?
(3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine has a molecular weight of 210.36 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine is sourced from PubChem (CID 144572732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).