2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine

C13H29N3 — CID 57073936

IUPAC2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine
SMILESCCN(CC)CC1CCCCN1C(C)CN
InChIInChI=1S/C13H29N3/c1-4-15(5-2)11-13-8-6-7-9-16(13)12(3)10-14/h12-13H,4-11,14H2,1-3H3
InChIKeyURQQGJBMIPPSGI-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds6

About 2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine

2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine (PubChem CID 57073936) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine
PubChem CID57073936
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine
SMILESCCN(CC)CC1CCCCN1C(C)CN
InChIInChI=1S/C13H29N3/c1-4-15(5-2)11-13-8-6-7-9-16(13)12(3)10-14/h12-13H,4-11,14H2,1-3H3
InChIKeyURQQGJBMIPPSGI-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2R)-2-methylpiperidin-1-yl]propan-1-amine
CID 124709842
4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine
CID 19845936
2-(2-propylpiperidin-1-yl)pentan-3-amine
CID 83053461
1-amino-4-(2-ethylpiperidin-1-yl)-2-methylpentan-2-ol
CID 64820664
3-(2-ethylpyrrolidin-1-yl)butan-2-amine
CID 61354577
2-N-ethyl-2-N-(1-methylazepan-4-yl)propane-1,2-diamine
CID 83821358
N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 66565691
4-(2-ethylpyrrolidin-1-yl)pentan-1-amine
CID 62437661
3-amino-2-(2-ethylpiperidin-1-yl)propan-1-ol
CID 104710817
ethane;2-ethyl-1-pentan-2-ylpyrrolidine
CID 156889102
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanoate
CID 55128089
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide
CID 76975863

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine (CID 57073936) is 2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine is CCN(CC)CC1CCCCN1C(C)CN.
What is the InChIKey of 2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is URQQGJBMIPPSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-15(5-2)11-13-8-6-7-9-16(13)12(3)10-14/h12-13H,4-11,14H2,1-3H3.
What are the key properties of 2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine?
2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylaminomethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 57073936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).