tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate

C14H28N2O2 — CID 63303190

IUPACtert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate
SMILESCCCCC(C)NC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-6-7-8-11(2)15-12-9-16(10-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyPDHGZWYVNMGEBU-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.77
Rot. Bonds5

About tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate

tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate (PubChem CID 63303190) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate
PubChem CID63303190
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate
SMILESCCCCC(C)NC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-6-7-8-11(2)15-12-9-16(10-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyPDHGZWYVNMGEBU-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(octan-2-ylamino)azepane-1-carboxylate
CID 107249375
tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate
CID 107241913
tert-butyl 3-[(4-methoxy-4-methylpentan-2-yl)amino]azetidine-1-carboxylate
CID 103788152
tert-butyl 3-(hex-1-yn-3-ylamino)azetidine-1-carboxylate
CID 106226951
tert-butyl 4-(pentan-2-ylamino)azepane-1-carboxylate
CID 103980373
tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
tert-butyl 3-(butylaminomethyl)azetidine-1-carboxylate
CID 71304630
tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
CID 79692176
tert-butyl (3S)-3-methoxy-4-(pentan-2-ylamino)pyrrolidine-1-carboxylate
CID 103904510
tert-butyl 4-hexan-2-ylpiperazine-1-carboxylate
CID 134516807
tert-butyl 3-[1-(octan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 113232684
tert-butyl N-[2-(hexan-2-ylamino)cyclopropyl]carbamate
CID 107237524

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate (CID 63303190) is tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate is CCCCC(C)NC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate?
The InChIKey is PDHGZWYVNMGEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-7-8-11(2)15-12-9-16(10-12)13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate?
tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(hexan-2-ylamino)azetidine-1-carboxylate is sourced from PubChem (CID 63303190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).