N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine

C16H33N3 — CID 80998205

IUPACN-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)C2CCC2CNC(C)(C)C)CC1
InChIInChI=1S/C16H33N3/c1-16(2,3)17-12-13-6-7-15(13)19(5)14-8-10-18(4)11-9-14/h13-15,17H,6-12H2,1-5H3
InChIKeyWMFBXVGTSOGXRX-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds4

About N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine

N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 80998205) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine
PubChem CID80998205
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)C2CCC2CNC(C)(C)C)CC1
InChIInChI=1S/C16H33N3/c1-16(2,3)17-12-13-6-7-15(13)19(5)14-8-10-18(4)11-9-14/h13-15,17H,6-12H2,1-5H3
InChIKeyWMFBXVGTSOGXRX-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 80998347
N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 80997684
2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 80998648
N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine
CID 81000066
2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine
CID 80998310
N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 43329366
N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine
CID 80999025
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62263050
1-N-tert-butyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 83042217
N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine
CID 80997617
molecular hydrogen;trans-(1S,2S)-2-N-methyl-2-N-(1-methylpiperidin-4-yl)cyclohexane-1,2-diamine
CID 142330056
N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81000103

Frequently Asked Questions

What is the IUPAC name of N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine (CID 80998205) is N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)C2CCC2CNC(C)(C)C)CC1.
What is the InChIKey of N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is WMFBXVGTSOGXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-16(2,3)17-12-13-6-7-15(13)19(5)14-8-10-18(4)11-9-14/h13-15,17H,6-12H2,1-5H3.
What are the key properties of N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine?
N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 80998205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).