tert-butyl N-(2-aminohexyl)-N-butylcarbamate

C15H32N2O2 — CID 163596345

IUPACtert-butyl N-(2-aminohexyl)-N-butylcarbamate
SMILESCCCCC(N)CN(CCCC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-6-8-10-13(16)12-17(11-9-7-2)14(18)19-15(3,4)5/h13H,6-12,16H2,1-5H3
InChIKeyGTTMKKNLYYSMNM-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.54
Rot. Bonds8

About tert-butyl N-(2-aminohexyl)-N-butylcarbamate

tert-butyl N-(2-aminohexyl)-N-butylcarbamate (PubChem CID 163596345) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is tert-butyl N-(2-aminohexyl)-N-butylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminohexyl)-N-butylcarbamate
PubChem CID163596345
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nametert-butyl N-(2-aminohexyl)-N-butylcarbamate
SMILESCCCCC(N)CN(CCCC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-6-8-10-13(16)12-17(11-9-7-2)14(18)19-15(3,4)5/h13H,6-12,16H2,1-5H3
InChIKeyGTTMKKNLYYSMNM-UHFFFAOYSA-N
XLogP3.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]methyl]nonyl]-N-pentylcarbamate
CID 142044544
tert-butyl N,N-dipentylcarbamate
CID 65142743
methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propanoate
CID 156850157
tert-butyl N-(2-aminopropyl)-N-(4-hydroxypentyl)carbamate
CID 87126598
tert-butyl N-(2-aminopropyl)-N-[(4S)-4-hydroxypentyl]carbamate
CID 87126597
tert-butyl N-butyl-N-(2-chloroethyl)carbamate
CID 114293365
3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 42656893
tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate
CID 117003967
tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate
CID 57299810
tert-butyl N,N-bis(2-hydroxypentyl)carbamate
CID 165352440
tert-butyl N-[(3S)-3-aminobutyl]-N-(3-hydroxypropyl)carbamate
CID 58080924
tert-butyl N-(8-azidooctyl)-N-butylcarbamate
CID 58079640

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminohexyl)-N-butylcarbamate?
The IUPAC name of tert-butyl N-(2-aminohexyl)-N-butylcarbamate (CID 163596345) is tert-butyl N-(2-aminohexyl)-N-butylcarbamate.
What is the SMILES notation for tert-butyl N-(2-aminohexyl)-N-butylcarbamate?
The canonical SMILES for tert-butyl N-(2-aminohexyl)-N-butylcarbamate is CCCCC(N)CN(CCCC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-aminohexyl)-N-butylcarbamate?
The InChIKey is GTTMKKNLYYSMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-6-8-10-13(16)12-17(11-9-7-2)14(18)19-15(3,4)5/h13H,6-12,16H2,1-5H3.
What are the key properties of tert-butyl N-(2-aminohexyl)-N-butylcarbamate?
tert-butyl N-(2-aminohexyl)-N-butylcarbamate has a molecular weight of 272.43 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminohexyl)-N-butylcarbamate is sourced from PubChem (CID 163596345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).