N-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine

C12H26N2 — CID 102913388

IUPACN-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCC1CNC1)C(C)C
InChIInChI=1S/C12H26N2/c1-9(2)12(10(3)4)8-14-7-11-5-13-6-11/h9-14H,5-8H2,1-4H3
InChIKeySFLADLHXXYDHBB-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.72
Rot. Bonds6

About N-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine

N-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102913388) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102913388
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCC1CNC1)C(C)C
InChIInChI=1S/C12H26N2/c1-9(2)12(10(3)4)8-14-7-11-5-13-6-11/h9-14H,5-8H2,1-4H3
InChIKeySFLADLHXXYDHBB-UHFFFAOYSA-N
XLogP1.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine (CID 102913388) is N-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(CNCC1CNC1)C(C)C.
What is the InChIKey of N-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is SFLADLHXXYDHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)12(10(3)4)8-14-7-11-5-13-6-11/h9-14H,5-8H2,1-4H3.
What are the key properties of N-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine?
N-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102913388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).