4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine

C16H35N — CID 146611737

IUPAC4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine
SMILESCCCC(CC)(CC(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C16H35N/c1-9-11-16(10-2,12-13(3)4)17(14(5)6)15(7)8/h13-15H,9-12H2,1-8H3
InChIKeyJSTNGAAUUPUNTF-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.10
Rot. Bonds8

About 4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine

4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine (PubChem CID 146611737) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine.

Molecular Properties

Compound Name4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine
PubChem CID146611737
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine
SMILESCCCC(CC)(CC(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C16H35N/c1-9-11-16(10-2,12-13(3)4)17(14(5)6)15(7)8/h13-15H,9-12H2,1-8H3
InChIKeyJSTNGAAUUPUNTF-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine?
The IUPAC name of 4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine (CID 146611737) is 4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine.
What is the SMILES notation for 4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine?
The canonical SMILES for 4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine is CCCC(CC)(CC(C)C)N(C(C)C)C(C)C.
What is the InChIKey of 4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine?
The InChIKey is JSTNGAAUUPUNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-9-11-16(10-2,12-13(3)4)17(14(5)6)15(7)8/h13-15H,9-12H2,1-8H3.
What are the key properties of 4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine?
4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine has a molecular weight of 241.46 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine is sourced from PubChem (CID 146611737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).