N,N,5-triethyl-4-methylhept-6-en-1-amine

C14H29N — CID 170848099

IUPACN,N,5-triethyl-4-methylhept-6-en-1-amine
SMILESC=CC(CC)C(C)CCCN(CC)CC
InChIInChI=1S/C14H29N/c1-6-14(7-2)13(5)11-10-12-15(8-3)9-4/h6,13-14H,1,7-12H2,2-5H3
InChIKeyOHXRANPVMOWYPD-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.96
Rot. Bonds9

About N,N,5-triethyl-4-methylhept-6-en-1-amine

N,N,5-triethyl-4-methylhept-6-en-1-amine (PubChem CID 170848099) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N,N,5-triethyl-4-methylhept-6-en-1-amine.

Molecular Properties

Compound NameN,N,5-triethyl-4-methylhept-6-en-1-amine
PubChem CID170848099
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN,N,5-triethyl-4-methylhept-6-en-1-amine
SMILESC=CC(CC)C(C)CCCN(CC)CC
InChIInChI=1S/C14H29N/c1-6-14(7-2)13(5)11-10-12-15(8-3)9-4/h6,13-14H,1,7-12H2,2-5H3
InChIKeyOHXRANPVMOWYPD-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,5-triethyl-4-methylhept-6-en-1-amine?
The IUPAC name of N,N,5-triethyl-4-methylhept-6-en-1-amine (CID 170848099) is N,N,5-triethyl-4-methylhept-6-en-1-amine.
What is the SMILES notation for N,N,5-triethyl-4-methylhept-6-en-1-amine?
The canonical SMILES for N,N,5-triethyl-4-methylhept-6-en-1-amine is C=CC(CC)C(C)CCCN(CC)CC.
What is the InChIKey of N,N,5-triethyl-4-methylhept-6-en-1-amine?
The InChIKey is OHXRANPVMOWYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-14(7-2)13(5)11-10-12-15(8-3)9-4/h6,13-14H,1,7-12H2,2-5H3.
What are the key properties of N,N,5-triethyl-4-methylhept-6-en-1-amine?
N,N,5-triethyl-4-methylhept-6-en-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-triethyl-4-methylhept-6-en-1-amine is sourced from PubChem (CID 170848099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).