2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine

C14H30N2 — CID 62263147

IUPAC2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CN1CC(C)CC(C)C1
InChIInChI=1S/C14H30N2/c1-5-6-14(4,10-15)11-16-8-12(2)7-13(3)9-16/h12-13H,5-11,15H2,1-4H3
InChIKeyQLLVLJHHWPTJTN-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.73
Rot. Bonds5

About 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine

2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine (PubChem CID 62263147) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine
PubChem CID62263147
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CN1CC(C)CC(C)C1
InChIInChI=1S/C14H30N2/c1-5-6-14(4,10-15)11-16-8-12(2)7-13(3)9-16/h12-13H,5-11,15H2,1-4H3
InChIKeyQLLVLJHHWPTJTN-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine
CID 62262959
1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol
CID 62941187
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine
CID 63621256
2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine
CID 65282350
(3S,5R)-1-(3-amino-2,2-dimethylpropyl)-5-methylpiperidin-3-ol
CID 130802863
N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine
CID 79184023
1-amino-6-(3,5-dimethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818763
1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474787
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylpentan-1-amine
CID 62263973
2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine
CID 62262890
N-tert-butyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine
CID 63483212
2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 62263702

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine?
The IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine (CID 62263147) is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine?
The canonical SMILES for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine is CCCC(C)(CN)CN1CC(C)CC(C)C1.
What is the InChIKey of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine?
The InChIKey is QLLVLJHHWPTJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-6-14(4,10-15)11-16-8-12(2)7-13(3)9-16/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine?
2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 62263147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).