N,N-dibutylhept-6-en-1-amine

C15H31N — CID 126749828

IUPACN,N-dibutylhept-6-en-1-amine
SMILESC=CCCCCCN(CCCC)CCCC
InChIInChI=1S/C15H31N/c1-4-7-10-11-12-15-16(13-8-5-2)14-9-6-3/h4H,1,5-15H2,2-3H3
InChIKeyUTWMZMJPEANFIY-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.64
Rot. Bonds12

About N,N-dibutylhept-6-en-1-amine

N,N-dibutylhept-6-en-1-amine (PubChem CID 126749828) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N,N-dibutylhept-6-en-1-amine.

Molecular Properties

Compound NameN,N-dibutylhept-6-en-1-amine
PubChem CID126749828
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN,N-dibutylhept-6-en-1-amine
SMILESC=CCCCCCN(CCCC)CCCC
InChIInChI=1S/C15H31N/c1-4-7-10-11-12-15-16(13-8-5-2)14-9-6-3/h4H,1,5-15H2,2-3H3
InChIKeyUTWMZMJPEANFIY-UHFFFAOYSA-N
XLogP4.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-pent-4-enylpentan-1-amine
CID 154960176
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine
CID 142769563
dec-1-ene;ethene
CID 161044144
oct-1-ene;tetrahydrochloride
CID 172847494
oct-1-ene;hydrobromide
CID 88838560
dodec-1-ene;ethene
CID 158697165

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylhept-6-en-1-amine?
The IUPAC name of N,N-dibutylhept-6-en-1-amine (CID 126749828) is N,N-dibutylhept-6-en-1-amine.
What is the SMILES notation for N,N-dibutylhept-6-en-1-amine?
The canonical SMILES for N,N-dibutylhept-6-en-1-amine is C=CCCCCCN(CCCC)CCCC.
What is the InChIKey of N,N-dibutylhept-6-en-1-amine?
The InChIKey is UTWMZMJPEANFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-7-10-11-12-15-16(13-8-5-2)14-9-6-3/h4H,1,5-15H2,2-3H3.
What are the key properties of N,N-dibutylhept-6-en-1-amine?
N,N-dibutylhept-6-en-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.64, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylhept-6-en-1-amine is sourced from PubChem (CID 126749828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).