6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine

C14H30N2 — CID 106799833

IUPAC6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCN1CCCC1(C)C
InChIInChI=1S/C14H30N2/c1-5-13(15-6-2)9-7-11-16-12-8-10-14(16,3)4/h13,15H,5-12H2,1-4H3
InChIKeyGNKGELPRBKUGLX-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds7

About 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine

6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine (PubChem CID 106799833) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine.

Molecular Properties

Compound Name6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine
PubChem CID106799833
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCN1CCCC1(C)C
InChIInChI=1S/C14H30N2/c1-5-13(15-6-2)9-7-11-16-12-8-10-14(16,3)4/h13,15H,5-12H2,1-4H3
InChIKeyGNKGELPRBKUGLX-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,2-dimethylpyrrolidin-1-yl)-N-ethylpentan-2-amine
CID 63220042
1-(3-chloropropyl)-2,2-dimethylpyrrolidine
CID 23091634
N-[3-(2,2-dimethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine
CID 63219992
3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63218029
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)hexan-3-amine
CID 106800125
6-(4-cyclopropylpiperazin-1-yl)-N-ethylhexan-3-amine
CID 106799531
6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine
CID 106799710
5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one
CID 63217799
N-[5-(2,2-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 63218242
(2R)-1-(2,2-dimethylpyrrolidin-1-yl)butan-2-ol
CID 130161383
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine
CID 63218289
N-ethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-3-amine
CID 106800011

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine?
The IUPAC name of 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine (CID 106799833) is 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine.
What is the SMILES notation for 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine?
The canonical SMILES for 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine is CCNC(CC)CCCN1CCCC1(C)C.
What is the InChIKey of 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine?
The InChIKey is GNKGELPRBKUGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-13(15-6-2)9-7-11-16-12-8-10-14(16,3)4/h13,15H,5-12H2,1-4H3.
What are the key properties of 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine?
6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpyrrolidin-1-yl)-N-ethylhexan-3-amine is sourced from PubChem (CID 106799833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).