4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine

C16H35N — CID 170849414

IUPAC4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine
SMILESCCCC(CC)CC(CN(C)C)C(C)C(C)C
InChIInChI=1S/C16H35N/c1-8-10-15(9-2)11-16(12-17(6)7)14(5)13(3)4/h13-16H,8-12H2,1-7H3
InChIKeyQPBJVUSJQKQCJC-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.67
Rot. Bonds9

About 4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine

4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine (PubChem CID 170849414) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine
PubChem CID170849414
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine
SMILESCCCC(CC)CC(CN(C)C)C(C)C(C)C
InChIInChI=1S/C16H35N/c1-8-10-15(9-2)11-16(12-17(6)7)14(5)13(3)4/h13-16H,8-12H2,1-7H3
InChIKeyQPBJVUSJQKQCJC-UHFFFAOYSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-diethyl-2-methyloctane
CID 57491216
N,N,5-trimethyl-2-(3-methylbutan-2-yl)octan-1-amine
CID 170849412
4,6-diethyl-2,3,9-trimethyldodecane
CID 123599024
N,N,5-trimethyl-2-propylhexan-1-amine
CID 123395746
4-ethyl-2-methylheptane;methane
CID 160575103
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
4-ethyl-6-hexan-3-yl-10-methyltridecane
CID 91319415
2-[(dimethylamino)methyl]pentan-1-ol
CID 117241783
(6S)-6-ethyl-2,4-dimethylnonane
CID 144657446
N,N,7-trimethyl-2-pentan-2-yloctan-1-amine
CID 170849400

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine?
The IUPAC name of 4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine (CID 170849414) is 4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine.
What is the SMILES notation for 4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine?
The canonical SMILES for 4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine is CCCC(CC)CC(CN(C)C)C(C)C(C)C.
What is the InChIKey of 4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine?
The InChIKey is QPBJVUSJQKQCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-8-10-15(9-2)11-16(12-17(6)7)14(5)13(3)4/h13-16H,8-12H2,1-7H3.
What are the key properties of 4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine?
4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine is sourced from PubChem (CID 170849414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).