N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine

C10H22N2 — CID 63143226

IUPACN-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine
SMILESCCC1(CNC(C)C)CCNC1
InChIInChI=1S/C10H22N2/c1-4-10(5-6-11-7-10)8-12-9(2)3/h9,11-12H,4-8H2,1-3H3
InChIKeyMVONDSWOVDBYEA-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.37
Rot. Bonds4

About N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine

N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine (PubChem CID 63143226) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine
PubChem CID63143226
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine
SMILESCCC1(CNC(C)C)CCNC1
InChIInChI=1S/C10H22N2/c1-4-10(5-6-11-7-10)8-12-9(2)3/h9,11-12H,4-8H2,1-3H3
InChIKeyMVONDSWOVDBYEA-UHFFFAOYSA-N
XLogP1.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine (CID 63143226) is N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine is CCC1(CNC(C)C)CCNC1.
What is the InChIKey of N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine?
The InChIKey is MVONDSWOVDBYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-10(5-6-11-7-10)8-12-9(2)3/h9,11-12H,4-8H2,1-3H3.
What are the key properties of N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine?
N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 63143226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).