N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine

C14H31N3 — CID 92982304

IUPACN-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)C[C@H]1CCCCN1CCN
InChIInChI=1S/C14H31N3/c1-3-9-16(10-4-2)13-14-7-5-6-11-17(14)12-8-15/h14H,3-13,15H2,1-2H3/t14-/m1/s1
InChIKeyDBMBSNBKOZMJLV-CQSZACIVSA-N
MW241.42 g/mol
LogP1.92
Rot. Bonds8

About N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine

N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine (PubChem CID 92982304) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine
PubChem CID92982304
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)C[C@H]1CCCCN1CCN
InChIInChI=1S/C14H31N3/c1-3-9-16(10-4-2)13-14-7-5-6-11-17(14)12-8-15/h14H,3-13,15H2,1-2H3/t14-/m1/s1
InChIKeyDBMBSNBKOZMJLV-CQSZACIVSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpiperidin-2-yl)methyl]-N-propylpropan-1-amine
CID 151585652
4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine
CID 19845936
2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine
CID 63760471
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554164
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate
CID 96553576
2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554160
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554161
N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine
CID 19845975
N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide
CID 66567395
(1-butylazepan-2-yl)methanamine
CID 116640391
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine (CID 92982304) is N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine is CCCN(CCC)C[C@H]1CCCCN1CCN.
What is the InChIKey of N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine?
The InChIKey is DBMBSNBKOZMJLV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H31N3/c1-3-9-16(10-4-2)13-14-7-5-6-11-17(14)12-8-15/h14H,3-13,15H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine?
N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 92982304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).