1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine

C11H25N3 — CID 83831668

IUPAC1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine
SMILESCC(N)CN1CCCCC1CN(C)C
InChIInChI=1S/C11H25N3/c1-10(12)8-14-7-5-4-6-11(14)9-13(2)3/h10-11H,4-9,12H2,1-3H3
InChIKeyKOFUGIQSFOIQOZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.75
Rot. Bonds4

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

1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine (PubChem CID 83831668) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine
PubChem CID83831668
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine
SMILESCC(N)CN1CCCCC1CN(C)C
InChIInChI=1S/C11H25N3/c1-10(12)8-14-7-5-4-6-11(14)9-13(2)3/h10-11H,4-9,12H2,1-3H3
InChIKeyKOFUGIQSFOIQOZ-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 103934614
1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine
CID 83835392
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-amine
CID 62886971
(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine
CID 103934506
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropan-2-amine
CID 62886469
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropanoate
CID 62888613
2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetamide
CID 14209997
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine
CID 62889171
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentan-2-ol
CID 62887965
1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 65015117
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine
CID 62889374
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(3,4-dimethylphenyl)ethanamine
CID 62886119

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine?
The IUPAC name of 1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine (CID 83831668) is 1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine is CC(N)CN1CCCCC1CN(C)C.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine?
The InChIKey is KOFUGIQSFOIQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-10(12)8-14-7-5-4-6-11(14)9-13(2)3/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine?
1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine is sourced from PubChem (CID 83831668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).