4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine

C12H27N3 — CID 62886637

IUPAC4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine
SMILESCNC(C)CCN1CCCC1CN(C)C
InChIInChI=1S/C12H27N3/c1-11(13-2)7-9-15-8-5-6-12(15)10-14(3)4/h11-13H,5-10H2,1-4H3
InChIKeySTDNALOHWPVPKK-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds6

About 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine

4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine (PubChem CID 62886637) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine
PubChem CID62886637
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine
SMILESCNC(C)CCN1CCCC1CN(C)C
InChIInChI=1S/C12H27N3/c1-11(13-2)7-9-15-8-5-6-12(15)10-14(3)4/h11-13H,5-10H2,1-4H3
InChIKeySTDNALOHWPVPKK-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropan-2-amine
CID 62886469
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine
CID 62889374
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide
CID 63055063
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]cyclopropanamine
CID 62886265
(2S)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 103934614
methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate
CID 63055230
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol
CID 106802390
4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine
CID 19846007
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine
CID 62888334
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126722
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649
1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine
CID 83831668

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine?
The IUPAC name of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine (CID 62886637) is 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine is CNC(C)CCN1CCCC1CN(C)C.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine?
The InChIKey is STDNALOHWPVPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(13-2)7-9-15-8-5-6-12(15)10-14(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine?
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine is sourced from PubChem (CID 62886637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).