3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine

C10H22N2 — CID 66452958

IUPAC3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine
SMILESCC(N)C(C)(C)CN1CCCC1
InChIInChI=1S/C10H22N2/c1-9(11)10(2,3)8-12-6-4-5-7-12/h9H,4-8,11H2,1-3H3
InChIKeyKZMNKHGIWBPJMB-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.46
Rot. Bonds3

About 3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine

3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine (PubChem CID 66452958) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine
PubChem CID66452958
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine
SMILESCC(N)C(C)(C)CN1CCCC1
InChIInChI=1S/C10H22N2/c1-9(11)10(2,3)8-12-6-4-5-7-12/h9H,4-8,11H2,1-3H3
InChIKeyKZMNKHGIWBPJMB-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine
CID 126980720
3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 66453018
1-(2,2,3-trimethylbutyl)piperidine
CID 123629740
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454924
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
1-(2,2-dimethylpropyl)azocane
CID 131007399
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
1-(2,2,4-trimethylpentyl)piperidine
CID 169190328
2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol
CID 66454911
2,2,4-trimethyl-1-piperazin-1-ylpentan-3-amine
CID 116946567

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine (CID 66452958) is 3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine is CC(N)C(C)(C)CN1CCCC1.
What is the InChIKey of 3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is KZMNKHGIWBPJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(11)10(2,3)8-12-6-4-5-7-12/h9H,4-8,11H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine?
3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 66452958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).