N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine

C13H28N2 — CID 63143069

IUPACN,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCCC1(CN(C)CC(C)C)CCNC1
InChIInChI=1S/C13H28N2/c1-5-6-13(7-8-14-10-13)11-15(4)9-12(2)3/h12,14H,5-11H2,1-4H3
InChIKeyOEBXGIAYRGCPKP-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds6

About N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine

N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine (PubChem CID 63143069) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine
PubChem CID63143069
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCCC1(CN(C)CC(C)C)CCNC1
InChIInChI=1S/C13H28N2/c1-5-6-13(7-8-14-10-13)11-15(4)9-12(2)3/h12,14H,5-11H2,1-4H3
InChIKeyOEBXGIAYRGCPKP-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

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Related Compounds

N-(2-methylpropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 55166322
N-methyl-1-(2-methylcyclopropyl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63859137
N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-1-amine
CID 63143220
N-methyl-N-[(3-propylpiperidin-3-yl)methyl]propan-1-amine
CID 63132958
3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 107870233
N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63705880
N-(2-methylpropyl)-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133310
N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
CID 65486941
1-(furan-3-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63143134
N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63143036
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 79319125
1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63142700

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine (CID 63143069) is N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine is CCCC1(CN(C)CC(C)C)CCNC1.
What is the InChIKey of N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine?
The InChIKey is OEBXGIAYRGCPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-6-13(7-8-14-10-13)11-15(4)9-12(2)3/h12,14H,5-11H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine?
N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-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-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63143069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).