4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine

C9H20N2 — CID 126980720

IUPAC4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine
SMILESCC(N)C(C)(C)CN1CCC1
InChIInChI=1S/C9H20N2/c1-8(10)9(2,3)7-11-5-4-6-11/h8H,4-7,10H2,1-3H3
InChIKeyHYPIELWVJMZFHU-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.07
Rot. Bonds3

About 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine

4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine (PubChem CID 126980720) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine
PubChem CID126980720
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine
SMILESCC(N)C(C)(C)CN1CCC1
InChIInChI=1S/C9H20N2/c1-8(10)9(2,3)7-11-5-4-6-11/h8H,4-7,10H2,1-3H3
InChIKeyHYPIELWVJMZFHU-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine
CID 66452958
3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 66453018
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454924
1-(2,2,3-trimethylbutyl)piperidine
CID 123629740
1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine
CID 66452822
4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine
CID 79183847
3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 66452601
2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine
CID 116946567
3,3-dimethyl-4-(1,4-thiazepan-4-yl)butan-2-ol
CID 66453476
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
3,3-dimethyl-4-(4-methylazepan-1-yl)butan-2-ol
CID 66453480
1-(2,2,4-trimethylpentyl)piperidine
CID 169190328

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine (CID 126980720) is 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine is CC(N)C(C)(C)CN1CCC1.
What is the InChIKey of 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine?
The InChIKey is HYPIELWVJMZFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(10)9(2,3)7-11-5-4-6-11/h8H,4-7,10H2,1-3H3.
What are the key properties of 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine?
4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine has a molecular weight of 156.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 126980720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).