N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine

C12H26N2 — CID 43180030

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine
SMILESCCCCCNCC1CCCN1CC
InChIInChI=1S/C12H26N2/c1-3-5-6-9-13-11-12-8-7-10-14(12)4-2/h12-13H,3-11H2,1-2H3
InChIKeyFTFPRGNRGBMPEK-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine (PubChem CID 43180030) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine
PubChem CID43180030
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine
SMILESCCCCCNCC1CCCN1CC
InChIInChI=1S/C12H26N2/c1-3-5-6-9-13-11-12-8-7-10-14(12)4-2/h12-13H,3-11H2,1-2H3
InChIKeyFTFPRGNRGBMPEK-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine
CID 142254760
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 54961368
N-[(1-methylpyrrolidin-2-yl)methyl]nonan-1-amine
CID 106025363
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962176
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide
CID 43090000
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
1-ethyl-2-hexadecylpiperidine
CID 159279911
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
CID 79313161
3-[(1-ethylpyrrolidin-2-yl)methylamino]propane-1,2-diol
CID 76891505
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-methylacetamide
CID 43180041

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine (CID 43180030) is N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine is CCCCCNCC1CCCN1CC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine?
The InChIKey is FTFPRGNRGBMPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-5-6-9-13-11-12-8-7-10-14(12)4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 43180030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).