N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine

C13H28N2 — CID 79184334

IUPACN-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine
SMILESCCCCNCC(C)N1CC(C)C(C)C1
InChIInChI=1S/C13H28N2/c1-5-6-7-14-8-13(4)15-9-11(2)12(3)10-15/h11-14H,5-10H2,1-4H3
InChIKeyRMYYTKCQTKJGMU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine

N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine (PubChem CID 79184334) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine
PubChem CID79184334
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine
SMILESCCCCNCC(C)N1CC(C)C(C)C1
InChIInChI=1S/C13H28N2/c1-5-6-7-14-8-13(4)15-9-11(2)12(3)10-15/h11-14H,5-10H2,1-4H3
InChIKeyRMYYTKCQTKJGMU-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
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)propyl]butan-1-amine
CID 62557297
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine
CID 66369464
N-(2-piperidin-1-ylpropyl)octan-1-amine
CID 63452848
N-[2-(2,5-dimethylmorpholin-4-yl)propyl]butan-1-amine
CID 62569533
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]butan-1-amine
CID 83221408
N-[2-(4,4-dimethylazepan-1-yl)propyl]butan-1-amine
CID 65287018
N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine
CID 62557992
2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 79184426
N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine
CID 81469439
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine
CID 62568280
N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 79183577

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine?
The IUPAC name of N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine (CID 79184334) is N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine?
The canonical SMILES for N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine is CCCCNCC(C)N1CC(C)C(C)C1.
What is the InChIKey of N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine?
The InChIKey is RMYYTKCQTKJGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-6-7-14-8-13(4)15-9-11(2)12(3)10-15/h11-14H,5-10H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine?
N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine is sourced from PubChem (CID 79184334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).