tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate

C15H30N2O2 — CID 107241913

IUPACtert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate
SMILESCCCC(CCC)NC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-6-8-12(9-7-2)16-13-10-17(11-13)14(18)19-15(3,4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyJKYBKSCAHATNOD-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.16
Rot. Bonds6

About tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate

tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate (PubChem CID 107241913) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate
PubChem CID107241913
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate
SMILESCCCC(CCC)NC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-6-8-12(9-7-2)16-13-10-17(11-13)14(18)19-15(3,4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyJKYBKSCAHATNOD-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(hex-1-yn-3-ylamino)azetidine-1-carboxylate
CID 106226951
tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate
CID 63303190
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 3-[(4-methoxy-4-methylpentan-2-yl)amino]azetidine-1-carboxylate
CID 103788152
tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate
CID 102672148
tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate
CID 83990962
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;2-methylpentane
CID 174865943
tert-butyl 3-(1-phenylpropylamino)azetidine-1-carboxylate
CID 63303236
tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate
CID 103788187
tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
CID 107253812
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate (CID 107241913) is tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate is CCCC(CCC)NC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate?
The InChIKey is JKYBKSCAHATNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-8-12(9-7-2)16-13-10-17(11-13)14(18)19-15(3,4)5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate?
tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate is sourced from PubChem (CID 107241913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).