1-(3-methylbutyl)-N-propylpyrrolidin-3-amine

C12H26N2 — CID 43314968

IUPAC1-(3-methylbutyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(CCC(C)C)C1
InChIInChI=1S/C12H26N2/c1-4-7-13-12-6-9-14(10-12)8-5-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyNRHDLJLIBMXCTE-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds6

About 1-(3-methylbutyl)-N-propylpyrrolidin-3-amine

1-(3-methylbutyl)-N-propylpyrrolidin-3-amine (PubChem CID 43314968) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(3-methylbutyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)-N-propylpyrrolidin-3-amine
PubChem CID43314968
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(3-methylbutyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(CCC(C)C)C1
InChIInChI=1S/C12H26N2/c1-4-7-13-12-6-9-14(10-12)8-5-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyNRHDLJLIBMXCTE-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-propan-2-yloxyethyl)-N-propylpyrrolidin-3-amine
CID 104761908
ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine
CID 166168128
1-(2-ethoxyethyl)-N-propylpyrrolidin-3-amine
CID 43591122
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
1-(5-methylhexan-2-yl)-N-propylpiperidin-4-amine
CID 63925487
1-(2,2-dimethylbutyl)-N-propylpyrrolidin-3-amine
CID 103461871
1-(2-aminoethyl)-N-propylpiperidin-3-amine
CID 83991380
1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
CID 164928841
1-(2-methylbutyl)-N-propylpiperidin-4-amine
CID 62105656
1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine
CID 106721523
2-[4-(propylamino)piperidin-1-yl]ethanol
CID 60818603
1-[2-(2-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315228

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-(3-methylbutyl)-N-propylpyrrolidin-3-amine (CID 43314968) is 1-(3-methylbutyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-methylbutyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-methylbutyl)-N-propylpyrrolidin-3-amine is CCCNC1CCN(CCC(C)C)C1.
What is the InChIKey of 1-(3-methylbutyl)-N-propylpyrrolidin-3-amine?
The InChIKey is NRHDLJLIBMXCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-7-13-12-6-9-14(10-12)8-5-11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-N-propylpyrrolidin-3-amine?
1-(3-methylbutyl)-N-propylpyrrolidin-3-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 43314968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).