N-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine

C14H30N2 — CID 102913564

IUPACN-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCC(C)C1CNC1)C(C)C
InChIInChI=1S/C14H30N2/c1-10(2)14(11(3)4)9-15-6-12(5)13-7-16-8-13/h10-16H,6-9H2,1-5H3
InChIKeyGTFJETUCKQGQNQ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.36
Rot. Bonds7

About N-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine

N-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102913564) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102913564
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCC(C)C1CNC1)C(C)C
InChIInChI=1S/C14H30N2/c1-10(2)14(11(3)4)9-15-6-12(5)13-7-16-8-13/h10-16H,6-9H2,1-5H3
InChIKeyGTFJETUCKQGQNQ-UHFFFAOYSA-N
XLogP2.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine (CID 102913564) is N-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(CNCC(C)C1CNC1)C(C)C.
What is the InChIKey of N-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is GTFJETUCKQGQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-10(2)14(11(3)4)9-15-6-12(5)13-7-16-8-13/h10-16H,6-9H2,1-5H3.
What are the key properties of N-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine?
N-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)propyl]-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102913564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).