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

C14H27N — CID 123754630

IUPACN,N-dibutylhexa-3,5-dien-1-amine
SMILESC=CC=CCCN(CCCC)CCCC
InChIInChI=1S/C14H27N/c1-4-7-10-11-14-15(12-8-5-2)13-9-6-3/h4,7,10H,1,5-6,8-9,11-14H2,2-3H3
InChIKeyCWYKFHKRBDRONX-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.02
Rot. Bonds10

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

N,N-dibutylhexa-3,5-dien-1-amine (PubChem CID 123754630) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N,N-dibutylhexa-3,5-dien-1-amine.

Molecular Properties

Compound NameN,N-dibutylhexa-3,5-dien-1-amine
PubChem CID123754630
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN,N-dibutylhexa-3,5-dien-1-amine
SMILESC=CC=CCCN(CCCC)CCCC
InChIInChI=1S/C14H27N/c1-4-7-10-11-14-15(12-8-5-2)13-9-6-3/h4,7,10H,1,5-6,8-9,11-14H2,2-3H3
InChIKeyCWYKFHKRBDRONX-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.02
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-dibutylhexa-3,5-dien-1-amine?
The IUPAC name of N,N-dibutylhexa-3,5-dien-1-amine (CID 123754630) is N,N-dibutylhexa-3,5-dien-1-amine.
What is the SMILES notation for N,N-dibutylhexa-3,5-dien-1-amine?
The canonical SMILES for N,N-dibutylhexa-3,5-dien-1-amine is C=CC=CCCN(CCCC)CCCC.
What is the InChIKey of N,N-dibutylhexa-3,5-dien-1-amine?
The InChIKey is CWYKFHKRBDRONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-7-10-11-14-15(12-8-5-2)13-9-6-3/h4,7,10H,1,5-6,8-9,11-14H2,2-3H3.
What are the key properties of N,N-dibutylhexa-3,5-dien-1-amine?
N,N-dibutylhexa-3,5-dien-1-amine has a molecular weight of 209.38 g/mol, XLogP of 4.02, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylhexa-3,5-dien-1-amine is sourced from PubChem (CID 123754630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).