tert-butyl N-(5-aminohexan-2-yl)carbamate

C11H24N2O2 — CID 145220242

IUPACtert-butyl N-(5-aminohexan-2-yl)carbamate
SMILESCC(N)CCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-8(12)6-7-9(2)13-10(14)15-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKeyUBUXYPBNVCAWLF-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.03
Rot. Bonds4

About tert-butyl N-(5-aminohexan-2-yl)carbamate

tert-butyl N-(5-aminohexan-2-yl)carbamate (PubChem CID 145220242) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl N-(5-aminohexan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-aminohexan-2-yl)carbamate
PubChem CID145220242
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butyl N-(5-aminohexan-2-yl)carbamate
SMILESCC(N)CCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-8(12)6-7-9(2)13-10(14)15-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKeyUBUXYPBNVCAWLF-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
propan-2-yl N-(5-aminohexan-2-yl)carbamate
CID 123188257
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
(3S)-3-aminobutan-1-ol;tert-butyl N-[(2S)-4-(difluoromethoxy)butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxybutan-2-yl]carbamate;(2S)-4-(difluoromethoxy)butan-2-amine;dihydrochloride
CID 158328701
4-amino-1-piperidin-1-ylpentan-1-one;tert-butyl N-(5-oxo-5-piperidin-1-ylpentan-2-yl)carbamate
CID 157280144
tert-butyl N-[(2R)-7-aminoheptan-2-yl]carbamate;hydrochloride
CID 167718807
tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
CID 83350039
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
CID 11079337
tert-butyl N-[(2S)-1-(sulfanylmethoxy)propan-2-yl]carbamate
CID 160711202
tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-aminohexan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-aminohexan-2-yl)carbamate (CID 145220242) is tert-butyl N-(5-aminohexan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-aminohexan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-aminohexan-2-yl)carbamate is CC(N)CCC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-aminohexan-2-yl)carbamate?
The InChIKey is UBUXYPBNVCAWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(12)6-7-9(2)13-10(14)15-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-(5-aminohexan-2-yl)carbamate?
tert-butyl N-(5-aminohexan-2-yl)carbamate has a molecular weight of 216.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-aminohexan-2-yl)carbamate is sourced from PubChem (CID 145220242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).