tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate

C14H29N3O2 — CID 107256567

IUPACtert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC1CNC1
InChIInChI=1S/C14H29N3O2/c1-5-6-7-11(17-12-8-15-9-12)10-16-13(18)19-14(2,3)4/h11-12,15,17H,5-10H2,1-4H3,(H,16,18)
InChIKeyKWKNRRLTIUAKGK-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.63
Rot. Bonds7

About tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate

tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate (PubChem CID 107256567) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate
PubChem CID107256567
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate
SMILESCCCCC(CNC(=O)OC(C)(C)C)NC1CNC1
InChIInChI=1S/C14H29N3O2/c1-5-6-7-11(17-12-8-15-9-12)10-16-13(18)19-14(2,3)4/h11-12,15,17H,5-10H2,1-4H3,(H,16,18)
InChIKeyKWKNRRLTIUAKGK-UHFFFAOYSA-N
XLogP1.63
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
CID 107253812
tert-butyl N-[2-(piperidin-4-ylamino)hexyl]carbamate
CID 107256495
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[2-(oxepan-4-ylamino)hexyl]carbamate
CID 103894993
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[2-[(2,2-dimethylcyclohexyl)amino]hexyl]carbamate
CID 107256444
tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[2-(6-bicyclo[3.2.0]hept-3-enylamino)hexyl]carbamate
CID 107256493
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate (CID 107256567) is tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate is CCCCC(CNC(=O)OC(C)(C)C)NC1CNC1.
What is the InChIKey of tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate?
The InChIKey is KWKNRRLTIUAKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-6-7-11(17-12-8-15-9-12)10-16-13(18)19-14(2,3)4/h11-12,15,17H,5-10H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate?
tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate has a molecular weight of 271.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(azetidin-3-ylamino)hexyl]carbamate is sourced from PubChem (CID 107256567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).