tert-butyl N-[2-(butylamino)hexyl]carbamate

C15H32N2O2 — CID 107256535

IUPACtert-butyl N-[2-(butylamino)hexyl]carbamate
SMILESCCCCNC(CCCC)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-6-8-10-13(16-11-9-7-2)12-17-14(18)19-15(3,4)5/h13,16H,6-12H2,1-5H3,(H,17,18)
InChIKeyGQYAAMIMDMQFCG-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.46
Rot. Bonds9

About tert-butyl N-[2-(butylamino)hexyl]carbamate

tert-butyl N-[2-(butylamino)hexyl]carbamate (PubChem CID 107256535) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is tert-butyl N-[2-(butylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(butylamino)hexyl]carbamate
PubChem CID107256535
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nametert-butyl N-[2-(butylamino)hexyl]carbamate
SMILESCCCCNC(CCCC)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-6-8-10-13(16-11-9-7-2)12-17-14(18)19-15(3,4)5/h13,16H,6-12H2,1-5H3,(H,17,18)
InChIKeyGQYAAMIMDMQFCG-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(octan-4-ylamino)propyl]carbamate
CID 106023862
tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993
tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate
CID 107256457
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate
CID 107256508
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate
CID 107256567
tert-butyl N-[2-(2-ethylbutylamino)pentyl]carbamate
CID 107253795
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]ethyl]carbamate
CID 131048509
tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 103753218
tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate
CID 104756511

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(butylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(butylamino)hexyl]carbamate (CID 107256535) is tert-butyl N-[2-(butylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(butylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(butylamino)hexyl]carbamate is CCCCNC(CCCC)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(butylamino)hexyl]carbamate?
The InChIKey is GQYAAMIMDMQFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-6-8-10-13(16-11-9-7-2)12-17-14(18)19-15(3,4)5/h13,16H,6-12H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(butylamino)hexyl]carbamate?
tert-butyl N-[2-(butylamino)hexyl]carbamate has a molecular weight of 272.43 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(butylamino)hexyl]carbamate is sourced from PubChem (CID 107256535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).