N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine

C14H27N — CID 140780277

IUPACN,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine
SMILESC=CC(C)(C)CC(C)C=CN(CC)CC
InChIInChI=1S/C14H27N/c1-7-14(5,6)12-13(4)10-11-15(8-2)9-3/h7,10-11,13H,1,8-9,12H2,2-6H3
InChIKeyZKLHMBGDHMVEPK-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.08
Rot. Bonds7

About N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine

N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine (PubChem CID 140780277) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine
PubChem CID140780277
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine
SMILESC=CC(C)(C)CC(C)C=CN(CC)CC
InChIInChI=1S/C14H27N/c1-7-14(5,6)12-13(4)10-11-15(8-2)9-3/h7,10-11,13H,1,8-9,12H2,2-6H3
InChIKeyZKLHMBGDHMVEPK-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.08
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-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine?
The IUPAC name of N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine (CID 140780277) is N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine.
What is the SMILES notation for N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine?
The canonical SMILES for N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine is C=CC(C)(C)CC(C)C=CN(CC)CC.
What is the InChIKey of N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine?
The InChIKey is ZKLHMBGDHMVEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-7-14(5,6)12-13(4)10-11-15(8-2)9-3/h7,10-11,13H,1,8-9,12H2,2-6H3.
What are the key properties of N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine?
N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine has a molecular weight of 209.38 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,5,5-trimethylhepta-1,6-dien-1-amine is sourced from PubChem (CID 140780277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).