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

C10H22N2O2 — CID 45091983

IUPACtert-butyl N-(5-aminopentan-2-yl)carbamate
SMILESCC(CCCN)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-8(6-5-7-11)12-9(13)14-10(2,3)4/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyVGFSVDUGQNCSSD-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.64
Rot. Bonds4

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

tert-butyl N-(5-aminopentan-2-yl)carbamate (PubChem CID 45091983) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl N-(5-aminopentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-aminopentan-2-yl)carbamate
PubChem CID45091983
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl N-(5-aminopentan-2-yl)carbamate
SMILESCC(CCCN)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-8(6-5-7-11)12-9(13)14-10(2,3)4/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyVGFSVDUGQNCSSD-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
tert-butyl N-(4-aminobutyl)carbamate
CID 4351
tert-butyl N-cyclohexylcarbamate
CID 300728
4-(N-Boc-amino)piperidine
CID 723833
(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
3-(Boc-amino)piperidine
CID 4233041
tert-butyl N-[1-(aminomethyl)pentadecyl]carbamate
CID 15673758
N-(tert-Butoxycarbonyl)-1,5-diaminopentane
CID 4352
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
rac-tert-butyl N-[(3S,5R)-5-{[(tert-butoxy)carbonyl]amino}piperidin-3-yl]carbamate
CID 21103719
tert-butyl N-[(3S)-piperidin-3-yl]carbamate
CID 1514171
N-BOC-1,6-diaminohexane
CID 2733170

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-aminopentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-aminopentan-2-yl)carbamate (CID 45091983) is tert-butyl N-(5-aminopentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-aminopentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-aminopentan-2-yl)carbamate is CC(CCCN)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-aminopentan-2-yl)carbamate?
The InChIKey is VGFSVDUGQNCSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(6-5-7-11)12-9(13)14-10(2,3)4/h8H,5-7,11H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-(5-aminopentan-2-yl)carbamate?
tert-butyl N-(5-aminopentan-2-yl)carbamate has a molecular weight of 202.30 g/mol, XLogP of 1.64, 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-aminopentan-2-yl)carbamate is sourced from PubChem (CID 45091983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).