N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C14H29N3 — CID 54961368

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCN1CCCC1CNCCCN1CCCC1
InChIInChI=1S/C14H29N3/c1-2-17-12-5-7-14(17)13-15-8-6-11-16-9-3-4-10-16/h14-15H,2-13H2,1H3
InChIKeyVDHHHRLVGMOZCZ-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.55
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 54961368) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID54961368
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCN1CCCC1CNCCCN1CCCC1
InChIInChI=1S/C14H29N3/c1-2-17-12-5-7-14(17)13-15-8-6-11-16-9-3-4-10-16/h14-15H,2-13H2,1H3
InChIKeyVDHHHRLVGMOZCZ-UHFFFAOYSA-N
XLogP1.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine
CID 43180030
N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine
CID 142254760
N-[(1-tert-butylpyrrolidin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 58858763
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962176
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112
3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide
CID 43090000
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111262721
N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62655431
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111262720

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 54961368) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is CCN1CCCC1CNCCCN1CCCC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is VDHHHRLVGMOZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-17-12-5-7-14(17)13-15-8-6-11-16-9-3-4-10-16/h14-15H,2-13H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 54961368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).