N,N,5-triethylhept-6-en-1-amine

C13H27N — CID 170848097

IUPACN,N,5-triethylhept-6-en-1-amine
SMILESC=CC(CC)CCCCN(CC)CC
InChIInChI=1S/C13H27N/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h5,13H,1,6-12H2,2-4H3
InChIKeyZEPKNLOILMZADV-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.71
Rot. Bonds9

About N,N,5-triethylhept-6-en-1-amine

N,N,5-triethylhept-6-en-1-amine (PubChem CID 170848097) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,N,5-triethylhept-6-en-1-amine.

Molecular Properties

Compound NameN,N,5-triethylhept-6-en-1-amine
PubChem CID170848097
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,N,5-triethylhept-6-en-1-amine
SMILESC=CC(CC)CCCCN(CC)CC
InChIInChI=1S/C13H27N/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h5,13H,1,6-12H2,2-4H3
InChIKeyZEPKNLOILMZADV-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.71
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,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
2-Ethylhexylamine, N,N-di(allyl)-
CID 19751114
2-ethyl-N-(2-ethylhexyl)-N-prop-2-enylhexan-1-amine
CID 87658734
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine
CID 200462
n,n-Diethylundec-10-en-1-amine
CID 237835
CH2=CH(CH2)6N(CH3)2
CID 9989459
N,N-diethyl-2-methylhept-6-en-1-amine
CID 17824958
N,N-diethyloct-7-en-1-amine
CID 17825148
(Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine
CID 134365806
3-fluoro-N,N,3-trimethyl-6-methylideneoct-7-en-1-amine
CID 155274720
N-but-3-enyl-1-fluoro-N,5-dimethyl-4-methylidenehexan-1-amine
CID 156185949

Frequently Asked Questions

What is the IUPAC name of N,N,5-triethylhept-6-en-1-amine?
The IUPAC name of N,N,5-triethylhept-6-en-1-amine (CID 170848097) is N,N,5-triethylhept-6-en-1-amine.
What is the SMILES notation for N,N,5-triethylhept-6-en-1-amine?
The canonical SMILES for N,N,5-triethylhept-6-en-1-amine is C=CC(CC)CCCCN(CC)CC.
What is the InChIKey of N,N,5-triethylhept-6-en-1-amine?
The InChIKey is ZEPKNLOILMZADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-13(6-2)11-9-10-12-14(7-3)8-4/h5,13H,1,6-12H2,2-4H3.
What are the key properties of N,N,5-triethylhept-6-en-1-amine?
N,N,5-triethylhept-6-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-triethylhept-6-en-1-amine is sourced from PubChem (CID 170848097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).