N,N-dipropylhexa-3,5-dien-1-amine

C12H23N — CID 123770482

IUPACN,N-dipropylhexa-3,5-dien-1-amine
SMILESC=CC=CCCN(CCC)CCC
InChIInChI=1S/C12H23N/c1-4-7-8-9-12-13(10-5-2)11-6-3/h4,7-8H,1,5-6,9-12H2,2-3H3
InChIKeyLNUVJDZRFCJYCT-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.24
Rot. Bonds8

About N,N-dipropylhexa-3,5-dien-1-amine

N,N-dipropylhexa-3,5-dien-1-amine (PubChem CID 123770482) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,N-dipropylhexa-3,5-dien-1-amine.

Molecular Properties

Compound NameN,N-dipropylhexa-3,5-dien-1-amine
PubChem CID123770482
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,N-dipropylhexa-3,5-dien-1-amine
SMILESC=CC=CCCN(CCC)CCC
InChIInChI=1S/C12H23N/c1-4-7-8-9-12-13(10-5-2)11-6-3/h4,7-8H,1,5-6,9-12H2,2-3H3
InChIKeyLNUVJDZRFCJYCT-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.24
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 N,N-dipropylhexa-3,5-dien-1-amine?
The IUPAC name of N,N-dipropylhexa-3,5-dien-1-amine (CID 123770482) is N,N-dipropylhexa-3,5-dien-1-amine.
What is the SMILES notation for N,N-dipropylhexa-3,5-dien-1-amine?
The canonical SMILES for N,N-dipropylhexa-3,5-dien-1-amine is C=CC=CCCN(CCC)CCC.
What is the InChIKey of N,N-dipropylhexa-3,5-dien-1-amine?
The InChIKey is LNUVJDZRFCJYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-7-8-9-12-13(10-5-2)11-6-3/h4,7-8H,1,5-6,9-12H2,2-3H3.
What are the key properties of N,N-dipropylhexa-3,5-dien-1-amine?
N,N-dipropylhexa-3,5-dien-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylhexa-3,5-dien-1-amine is sourced from PubChem (CID 123770482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).