N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine

C17H37N — CID 63509483

IUPACN-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine
SMILESCCCCC(CC)(CCC(C)C)CNC(C)(C)C
InChIInChI=1S/C17H37N/c1-8-10-12-17(9-2,13-11-15(3)4)14-18-16(5,6)7/h15,18H,8-14H2,1-7H3
InChIKeyVLZIDLRUSPICJV-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.40
Rot. Bonds9

About N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine

N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine (PubChem CID 63509483) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine
PubChem CID63509483
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC NameN-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine
SMILESCCCCC(CC)(CCC(C)C)CNC(C)(C)C
InChIInChI=1S/C17H37N/c1-8-10-12-17(9-2,13-11-15(3)4)14-18-16(5,6)7/h15,18H,8-14H2,1-7H3
InChIKeyVLZIDLRUSPICJV-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-ethyl-2-propylhexan-1-amine
CID 63507407
N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine
CID 63509481
5-(bromomethyl)-5-ethyl-2-methylnonane
CID 66050233
6,6-dibutyl-2-methyldecane
CID 150480915
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295
2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine
CID 63508789
2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol
CID 81411478
N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 65165541
2-(3-methylbutyl)-2-pentylpropane-1,3-diol
CID 165147923
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-propan-2-ylhexan-1-amine
CID 112591502
2-ethyl-N-methyl-2-(2-methylpropyl)hexan-1-amine
CID 62725827
N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine
CID 63507085

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine?
The IUPAC name of N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine (CID 63509483) is N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine?
The canonical SMILES for N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine is CCCCC(CC)(CCC(C)C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine?
The InChIKey is VLZIDLRUSPICJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-8-10-12-17(9-2,13-11-15(3)4)14-18-16(5,6)7/h15,18H,8-14H2,1-7H3.
What are the key properties of N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine?
N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine has a molecular weight of 255.49 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine is sourced from PubChem (CID 63509483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).