N-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine

C13H28N2O — CID 66184128

IUPACN-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine
SMILESCCCN(C(C)CC(C)(C)OC)C1CNC1
InChIInChI=1S/C13H28N2O/c1-6-7-15(12-9-14-10-12)11(2)8-13(3,4)16-5/h11-12,14H,6-10H2,1-5H3
InChIKeyHQCZYLSVHJBJCC-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds7

About N-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine

N-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine (PubChem CID 66184128) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine
PubChem CID66184128
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine
SMILESCCCN(C(C)CC(C)(C)OC)C1CNC1
InChIInChI=1S/C13H28N2O/c1-6-7-15(12-9-14-10-12)11(2)8-13(3,4)16-5/h11-12,14H,6-10H2,1-5H3
InChIKeyHQCZYLSVHJBJCC-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)azetidin-3-amine
CID 66184418
N-(4,4-dimethylhexan-2-yl)-N-propylcyclopropanamine
CID 91099667
2-[azetidin-3-yl(propyl)amino]propanamide
CID 66216282
N-(1-cyclohexylethyl)-N-propylazetidin-3-amine
CID 66183287
4-N-ethyl-4-N-(4-methoxy-4-methylpentan-2-yl)cyclohexane-1,4-diamine
CID 79115733
N-ethyl-N-propan-2-ylazetidin-3-amine
CID 21024113
N-(2-methylpentan-3-yl)-N-propylpyrrolidin-3-amine
CID 63300198
N-(3-methoxy-2-methylpropyl)-N-propylazetidin-3-amine
CID 116502188
N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine
CID 81093197
N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine
CID 66183935
N-butan-2-yl-N-propylpiperidin-4-amine
CID 60806146
N-(3-methylbutyl)-N-propylazetidin-3-amine
CID 66182647

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine (CID 66184128) is N-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine is CCCN(C(C)CC(C)(C)OC)C1CNC1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine?
The InChIKey is HQCZYLSVHJBJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-7-15(12-9-14-10-12)11(2)8-13(3,4)16-5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine?
N-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine is sourced from PubChem (CID 66184128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).