N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine

C19H39N — CID 170847923

IUPACN,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine
SMILESCCN(C=CC(C)CCCC(C)CCCC(C)C)CC
InChIInChI=1S/C19H39N/c1-7-20(8-2)16-15-19(6)14-10-13-18(5)12-9-11-17(3)4/h15-19H,7-14H2,1-6H3
InChIKeyAXYPUWJROWJZMW-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.11
Rot. Bonds12

About N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine

N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine (PubChem CID 170847923) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine
PubChem CID170847923
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine
SMILESCCN(C=CC(C)CCCC(C)CCCC(C)C)CC
InChIInChI=1S/C19H39N/c1-7-20(8-2)16-15-19(6)14-10-13-18(5)12-9-11-17(3)4/h15-19H,7-14H2,1-6H3
InChIKeyAXYPUWJROWJZMW-UHFFFAOYSA-N
XLogP6.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine?
The IUPAC name of N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine (CID 170847923) is N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine.
What is the SMILES notation for N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine?
The canonical SMILES for N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine is CCN(C=CC(C)CCCC(C)CCCC(C)C)CC.
What is the InChIKey of N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine?
The InChIKey is AXYPUWJROWJZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-7-20(8-2)16-15-19(6)14-10-13-18(5)12-9-11-17(3)4/h15-19H,7-14H2,1-6H3.
What are the key properties of N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine?
N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine has a molecular weight of 281.53 g/mol, XLogP of 6.11, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,7,11-trimethyldodec-1-en-1-amine is sourced from PubChem (CID 170847923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).