1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine

C14H31N3 — CID 62889374

IUPAC1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine
SMILESCN(C)CC1CCCN1CCC(N)C(C)(C)C
InChIInChI=1S/C14H31N3/c1-14(2,3)13(15)8-10-17-9-6-7-12(17)11-16(4)5/h12-13H,6-11,15H2,1-5H3
InChIKeyFQLOFPCLAUYEFB-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds5

About 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine (PubChem CID 62889374) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine
PubChem CID62889374
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine
SMILESCN(C)CC1CCCN1CCC(N)C(C)(C)C
InChIInChI=1S/C14H31N3/c1-14(2,3)13(15)8-10-17-9-6-7-12(17)11-16(4)5/h12-13H,6-11,15H2,1-5H3
InChIKeyFQLOFPCLAUYEFB-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 62886637
(2S)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 103934614
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-amine
CID 62888334
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-amine
CID 62886971
1-[1-[2-(bromomethyl)-3,3-dimethylbutyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 65015117
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(ethylamino)butanamide
CID 63055063
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]hexan-3-ol
CID 106802390
1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine
CID 83831668
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentan-2-ol
CID 62887965
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114495592
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454779
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126722

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine (CID 62889374) is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine is CN(C)CC1CCCN1CCC(N)C(C)(C)C.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine?
The InChIKey is FQLOFPCLAUYEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-14(2,3)13(15)8-10-17-9-6-7-12(17)11-16(4)5/h12-13H,6-11,15H2,1-5H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine?
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 62889374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).