2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine

C15H33N — CID 63509497

IUPAC2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine
SMILESCCCC(C)CC(CC)(CC)CNC(C)C
InChIInChI=1S/C15H33N/c1-7-10-14(6)11-15(8-2,9-3)12-16-13(4)5/h13-14,16H,7-12H2,1-6H3
InChIKeyZLKYMMTXUPUGSU-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.62
Rot. Bonds9

About 2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine

2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine (PubChem CID 63509497) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine
PubChem CID63509497
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine
SMILESCCCC(C)CC(CC)(CC)CNC(C)C
InChIInChI=1S/C15H33N/c1-7-10-14(6)11-15(8-2,9-3)12-16-13(4)5/h13-14,16H,7-12H2,1-6H3
InChIKeyZLKYMMTXUPUGSU-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine?
The IUPAC name of 2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine (CID 63509497) is 2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine.
What is the SMILES notation for 2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine?
The canonical SMILES for 2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine is CCCC(C)CC(CC)(CC)CNC(C)C.
What is the InChIKey of 2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine?
The InChIKey is ZLKYMMTXUPUGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-7-10-14(6)11-15(8-2,9-3)12-16-13(4)5/h13-14,16H,7-12H2,1-6H3.
What are the key properties of 2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine?
2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-methyl-N-propan-2-ylheptan-1-amine is sourced from PubChem (CID 63509497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).