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

C11H24N2 — CID 63143274

IUPACN-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine
SMILESCCC(C)NCC1(CC)CCNC1
InChIInChI=1S/C11H24N2/c1-4-10(3)13-9-11(5-2)6-7-12-8-11/h10,12-13H,4-9H2,1-3H3
InChIKeyKSNJJOWGEWRJIA-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.76
Rot. Bonds5

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

N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine (PubChem CID 63143274) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine
PubChem CID63143274
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine
SMILESCCC(C)NCC1(CC)CCNC1
InChIInChI=1S/C11H24N2/c1-4-10(3)13-9-11(5-2)6-7-12-8-11/h10,12-13H,4-9H2,1-3H3
InChIKeyKSNJJOWGEWRJIA-UHFFFAOYSA-N
XLogP1.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63143226
N-[(3-ethylpiperidin-3-yl)methyl]propan-2-amine
CID 63133337
N-[(3-ethylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 63143321
3-ethyl-3-(2-methylbutyl)pyrrolidine
CID 62352988
N-[(3-ethylpyrrolidin-3-yl)methyl]-5-methylhexan-1-amine
CID 115326071
N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine
CID 115438135
2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750802
2,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropan-1-amine
CID 63142903
N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine
CID 63143220
N-[(1-ethylcyclopropyl)methyl]pentan-2-amine
CID 103903056
N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 63143322
ethane;2-(3-ethylpyrrolidin-3-yl)-N-methylethanamine
CID 143462559

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine?
The IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine (CID 63143274) is N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine is CCC(C)NCC1(CC)CCNC1.
What is the InChIKey of N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine?
The InChIKey is KSNJJOWGEWRJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-10(3)13-9-11(5-2)6-7-12-8-11/h10,12-13H,4-9H2,1-3H3.
What are the key properties of N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine?
N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine has a molecular weight of 184.33 g/mol, XLogP of 1.76, 5 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]butan-2-amine is sourced from PubChem (CID 63143274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).