3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine

C10H22N2 — CID 153336012

IUPAC3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine
SMILESCN1CC(CCCN)CC1(C)C
InChIInChI=1S/C10H22N2/c1-10(2)7-9(5-4-6-11)8-12(10)3/h9H,4-8,11H2,1-3H3
InChIKeyXVCHHSOHUAKXOC-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.46
Rot. Bonds3

About 3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine

3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine (PubChem CID 153336012) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine
PubChem CID153336012
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine
SMILESCN1CC(CCCN)CC1(C)C
InChIInChI=1S/C10H22N2/c1-10(2)7-9(5-4-6-11)8-12(10)3/h9H,4-8,11H2,1-3H3
InChIKeyXVCHHSOHUAKXOC-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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Frequently Asked Questions

What is the IUPAC name of 3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine?
The IUPAC name of 3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine (CID 153336012) is 3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine?
The canonical SMILES for 3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine is CN1CC(CCCN)CC1(C)C.
What is the InChIKey of 3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine?
The InChIKey is XVCHHSOHUAKXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-10(2)7-9(5-4-6-11)8-12(10)3/h9H,4-8,11H2,1-3H3.
What are the key properties of 3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine?
3-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-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-(1,5,5-trimethylpyrrolidin-3-yl)propan-1-amine is sourced from PubChem (CID 153336012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).