N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

C12H26N2 — CID 60957473

IUPACN-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCCCNCC(C)CN1CCCC1
InChIInChI=1S/C12H26N2/c1-3-4-7-13-10-12(2)11-14-8-5-6-9-14/h12-13H,3-11H2,1-2H3
InChIKeyKHGZBGUSYYLOOE-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds7

About N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 60957473) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID60957473
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCCCNCC(C)CN1CCCC1
InChIInChI=1S/C12H26N2/c1-3-4-7-13-10-12(2)11-14-8-5-6-9-14/h12-13H,3-11H2,1-2H3
InChIKeyKHGZBGUSYYLOOE-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine
CID 55191409
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
3-(4,4-dimethylazepan-1-yl)-2-methyl-N-propylpropan-1-amine
CID 65282503
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 55025768
2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 62990666
(2R)-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 106932098
butyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]acetate
CID 62991023
N-[2-(azepan-1-yl)propyl]butan-1-amine
CID 62557297
N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide
CID 77031683
N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
CID 64992591
3-(3-ethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62434338

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (CID 60957473) is N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is CCCCNCC(C)CN1CCCC1.
What is the InChIKey of N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is KHGZBGUSYYLOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-4-7-13-10-12(2)11-14-8-5-6-9-14/h12-13H,3-11H2,1-2H3.
What are the key properties of N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 60957473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).