(3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine

C14H25N — CID 130372814

IUPAC(3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(C(\C)=C/C)/N(CCC)CCC
InChIInChI=1S/C14H25N/c1-6-10-14(13(5)9-4)15(11-7-2)12-8-3/h6,9-10H,1,7-8,11-12H2,2-5H3/b13-9-,14-10+
InChIKeyHAQRYSWUWDHUEF-ZKLMZBBOSA-N
MW207.36 g/mol
LogP4.14
Rot. Bonds7

About (3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine

(3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine (PubChem CID 130372814) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine
PubChem CID130372814
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(C(\C)=C/C)/N(CCC)CCC
InChIInChI=1S/C14H25N/c1-6-10-14(13(5)9-4)15(11-7-2)12-8-3/h6,9-10H,1,7-8,11-12H2,2-5H3/b13-9-,14-10+
InChIKeyHAQRYSWUWDHUEF-ZKLMZBBOSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine (CID 130372814) is (3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine is C=C/C=C(C(\C)=C/C)/N(CCC)CCC.
What is the InChIKey of (3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine?
The InChIKey is HAQRYSWUWDHUEF-ZKLMZBBOSA-N. The full InChI is InChI=1S/C14H25N/c1-6-10-14(13(5)9-4)15(11-7-2)12-8-3/h6,9-10H,1,7-8,11-12H2,2-5H3/b13-9-,14-10+.
What are the key properties of (3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine?
(3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine has a molecular weight of 207.36 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-methyl-N,N-dipropylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 130372814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).