3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine

C11H24N2 — CID 28653628

IUPAC3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
SMILESCC(C)CCNCCN1CCCC1
InChIInChI=1S/C11H24N2/c1-11(2)5-6-12-7-10-13-8-3-4-9-13/h11-12H,3-10H2,1-2H3
InChIKeyKSQBDTRKTXADPP-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.72
Rot. Bonds6

About 3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine

3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine (PubChem CID 28653628) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
PubChem CID28653628
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
SMILESCC(C)CCNCCN1CCCC1
InChIInChI=1S/C11H24N2/c1-11(2)5-6-12-7-10-13-8-3-4-9-13/h11-12H,3-10H2,1-2H3
InChIKeyKSQBDTRKTXADPP-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575903
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
3-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 61240080
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol
CID 107911987
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-methylbutan-1-amine
CID 62575365
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 107911579
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
1-[2-(azepan-1-yl)ethylamino]propan-2-ol
CID 104594544
4-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 61044634

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine (CID 28653628) is 3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine is CC(C)CCNCCN1CCCC1.
What is the InChIKey of 3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine?
The InChIKey is KSQBDTRKTXADPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-11(2)5-6-12-7-10-13-8-3-4-9-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine?
3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine is sourced from PubChem (CID 28653628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).