tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate

C18H38N2O2 — CID 107252263

IUPACtert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
SMILESCC(C)CCC(C)NC(CNC(=O)OC(C)(C)C)CC(C)C
InChIInChI=1S/C18H38N2O2/c1-13(2)9-10-15(5)20-16(11-14(3)4)12-19-17(21)22-18(6,7)8/h13-16,20H,9-12H2,1-8H3,(H,19,21)
InChIKeySMJMCESDJKRWCF-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.34
Rot. Bonds9

About tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate

tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate (PubChem CID 107252263) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
PubChem CID107252263
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC Nametert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
SMILESCC(C)CCC(C)NC(CNC(=O)OC(C)(C)C)CC(C)C
InChIInChI=1S/C18H38N2O2/c1-13(2)9-10-15(5)20-16(11-14(3)4)12-19-17(21)22-18(6,7)8/h13-16,20H,9-12H2,1-8H3,(H,19,21)
InChIKeySMJMCESDJKRWCF-UHFFFAOYSA-N
XLogP4.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782952
tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate
CID 107256457
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[4-methyl-2-(3-methylbutan-2-ylamino)pentyl]carbamate
CID 103782936
tert-butyl N-[2-(1,1-dimethoxypropan-2-ylamino)-4-methylpentyl]carbamate
CID 107252224
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 103387404
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667
tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782950
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[3-(5-methylhexan-2-ylamino)propyl]carbamate
CID 81344613
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate (CID 107252263) is tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate is CC(C)CCC(C)NC(CNC(=O)OC(C)(C)C)CC(C)C.
What is the InChIKey of tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate?
The InChIKey is SMJMCESDJKRWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-13(2)9-10-15(5)20-16(11-14(3)4)12-19-17(21)22-18(6,7)8/h13-16,20H,9-12H2,1-8H3,(H,19,21).
What are the key properties of tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate?
tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate has a molecular weight of 314.51 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate is sourced from PubChem (CID 107252263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).