N-tert-butyl-2-ethyl-2-propylhexan-1-amine

C15H33N — CID 63507407

IUPACN-tert-butyl-2-ethyl-2-propylhexan-1-amine
SMILESCCCCC(CC)(CCC)CNC(C)(C)C
InChIInChI=1S/C15H33N/c1-7-10-12-15(9-3,11-8-2)13-16-14(4,5)6/h16H,7-13H2,1-6H3
InChIKeyZUSROHWPKAPIQK-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.76
Rot. Bonds8

About N-tert-butyl-2-ethyl-2-propylhexan-1-amine

N-tert-butyl-2-ethyl-2-propylhexan-1-amine (PubChem CID 63507407) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-propylhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-propylhexan-1-amine
PubChem CID63507407
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC NameN-tert-butyl-2-ethyl-2-propylhexan-1-amine
SMILESCCCCC(CC)(CCC)CNC(C)(C)C
InChIInChI=1S/C15H33N/c1-7-10-12-15(9-3,11-8-2)13-16-14(4,5)6/h16H,7-13H2,1-6H3
InChIKeyZUSROHWPKAPIQK-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine
CID 63509483
N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine
CID 63509481
4,4-diethyloctane;ethane
CID 177031380
N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 65165541
N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine
CID 63507085
N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine
CID 114531445
N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine
CID 63508094
N-tert-butyl-2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexan-1-amine
CID 103138545
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol
CID 81411478
N-tert-butyl-2-ethyl-2-methylheptan-1-amine
CID 63508148
N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine
CID 62725434

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-propylhexan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-2-propylhexan-1-amine (CID 63507407) is N-tert-butyl-2-ethyl-2-propylhexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-propylhexan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-2-propylhexan-1-amine is CCCCC(CC)(CCC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethyl-2-propylhexan-1-amine?
The InChIKey is ZUSROHWPKAPIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-7-10-12-15(9-3,11-8-2)13-16-14(4,5)6/h16H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-2-propylhexan-1-amine?
N-tert-butyl-2-ethyl-2-propylhexan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-2-propylhexan-1-amine is sourced from PubChem (CID 63507407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).