N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine

C13H29N3 — CID 107441091

IUPACN'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCCN1CCCC1CNCC(CN)C(C)C
InChIInChI=1S/C13H29N3/c1-4-16-7-5-6-13(16)10-15-9-12(8-14)11(2)3/h11-13,15H,4-10,14H2,1-3H3
InChIKeyOJEUEFUTOXKZGE-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.29
Rot. Bonds7

About N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine

N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441091) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441091
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCCN1CCCC1CNCC(CN)C(C)C
InChIInChI=1S/C13H29N3/c1-4-16-7-5-6-13(16)10-15-9-12(8-14)11(2)3/h11-13,15H,4-10,14H2,1-3H3
InChIKeyOJEUEFUTOXKZGE-UHFFFAOYSA-N
XLogP1.29
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
3-[(1-ethylpyrrolidin-2-yl)methylamino]propane-1,2-diol
CID 76891505
N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine
CID 142254760
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115706755
(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine
CID 93283182
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
N'-(1-ethylpiperidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 107441997
N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine
CID 43180030

Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine (CID 107441091) is N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine is CCN1CCCC1CNCC(CN)C(C)C.
What is the InChIKey of N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is OJEUEFUTOXKZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-16-7-5-6-13(16)10-15-9-12(8-14)11(2)3/h11-13,15H,4-10,14H2,1-3H3.
What are the key properties of N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).