tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate

C18H38N2O2 — CID 107256457

IUPACtert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC(C)CCC(C)C
InChIInChI=1S/C18H38N2O2/c1-8-9-10-16(20-15(4)12-11-14(2)3)13-19-17(21)22-18(5,6)7/h14-16,20H,8-13H2,1-7H3,(H,19,21)
InChIKeyCNBUIDHWSYWIGA-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.48
Rot. Bonds10

About tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate

tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate (PubChem CID 107256457) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate
PubChem CID107256457
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC Nametert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC(C)CCC(C)C
InChIInChI=1S/C18H38N2O2/c1-8-9-10-16(20-15(4)12-11-14(2)3)13-19-17(21)22-18(5,6)7/h14-16,20H,8-13H2,1-7H3,(H,19,21)
InChIKeyCNBUIDHWSYWIGA-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 107252263
tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate
CID 107256508
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)hexyl]carbamate
CID 107256507
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 103387404
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782952
tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate
CID 107256567
tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
CID 107253597

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate (CID 107256457) is tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate is CCCCC(CNC(=O)OC(C)(C)C)NC(C)CCC(C)C.
What is the InChIKey of tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate?
The InChIKey is CNBUIDHWSYWIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-8-9-10-16(20-15(4)12-11-14(2)3)13-19-17(21)22-18(5,6)7/h14-16,20H,8-13H2,1-7H3,(H,19,21).
What are the key properties of tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate?
tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate has a molecular weight of 314.51 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate is sourced from PubChem (CID 107256457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).