N,N-dipropylhepta-1,4-dien-1-amine

C13H25N — CID 176891431

IUPACN,N-dipropylhepta-1,4-dien-1-amine
SMILESCCC=CCC=CN(CCC)CCC
InChIInChI=1S/C13H25N/c1-4-7-8-9-10-13-14(11-5-2)12-6-3/h7-8,10,13H,4-6,9,11-12H2,1-3H3
InChIKeyIVANNAMFVYMUER-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.98
Rot. Bonds8

About N,N-dipropylhepta-1,4-dien-1-amine

N,N-dipropylhepta-1,4-dien-1-amine (PubChem CID 176891431) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N,N-dipropylhepta-1,4-dien-1-amine.

Molecular Properties

Compound NameN,N-dipropylhepta-1,4-dien-1-amine
PubChem CID176891431
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN,N-dipropylhepta-1,4-dien-1-amine
SMILESCCC=CCC=CN(CCC)CCC
InChIInChI=1S/C13H25N/c1-4-7-8-9-10-13-14(11-5-2)12-6-3/h7-8,10,13H,4-6,9,11-12H2,1-3H3
InChIKeyIVANNAMFVYMUER-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipropylbut-1-en-1-amine
CID 575133
pentadeca-3,6,9,12-tetraene
CID 123748490
N,N-dipropylpent-1-en-1-amine
CID 71318717
henicosa-3,6,9,12,15,18-hexaenal
CID 123986237
(3Z,6Z)-nona-3,6-dienal
CID 5352808
(Z)-hex-3-enal
CID 162039404
(3E,6E,9E,12E,15E)-octadeca-1,3,6,9,12,15-hexaene
CID 102331083
heptadeca-3,6,12-triene
CID 54220025
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
hexadeca-3,6,9-triene
CID 56627141
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
henicosa-3,6-diene
CID 72727393

Frequently Asked Questions

What is the IUPAC name of N,N-dipropylhepta-1,4-dien-1-amine?
The IUPAC name of N,N-dipropylhepta-1,4-dien-1-amine (CID 176891431) is N,N-dipropylhepta-1,4-dien-1-amine.
What is the SMILES notation for N,N-dipropylhepta-1,4-dien-1-amine?
The canonical SMILES for N,N-dipropylhepta-1,4-dien-1-amine is CCC=CCC=CN(CCC)CCC.
What is the InChIKey of N,N-dipropylhepta-1,4-dien-1-amine?
The InChIKey is IVANNAMFVYMUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-7-8-9-10-13-14(11-5-2)12-6-3/h7-8,10,13H,4-6,9,11-12H2,1-3H3.
What are the key properties of N,N-dipropylhepta-1,4-dien-1-amine?
N,N-dipropylhepta-1,4-dien-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylhepta-1,4-dien-1-amine is sourced from PubChem (CID 176891431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).