N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine

C15H31N3 — CID 105414670

IUPACN,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine
SMILESCC(CC1CCCCN1)NCC1(N(C)C)CCC1
InChIInChI=1S/C15H31N3/c1-13(11-14-7-4-5-10-16-14)17-12-15(18(2)3)8-6-9-15/h13-14,16-17H,4-12H2,1-3H3
InChIKeySPISZBSRGMYSLG-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.98
Rot. Bonds6

About N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine

N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine (PubChem CID 105414670) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine
PubChem CID105414670
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine
SMILESCC(CC1CCCCN1)NCC1(N(C)C)CCC1
InChIInChI=1S/C15H31N3/c1-13(11-14-7-4-5-10-16-14)17-12-15(18(2)3)8-6-9-15/h13-14,16-17H,4-12H2,1-3H3
InChIKeySPISZBSRGMYSLG-UHFFFAOYSA-N
XLogP1.98
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 114094809
1-[[1-(azepan-2-yl)propan-2-ylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79541195
1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentan-1-ol
CID 79539855
[1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentyl]methanol
CID 115358900
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693
N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine
CID 79538896
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-2-ylpropanamide
CID 83110283
1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79549593
N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79552895
1-(azepan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 104759811
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 105419192

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine (CID 105414670) is N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine is CC(CC1CCCCN1)NCC1(N(C)C)CCC1.
What is the InChIKey of N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine?
The InChIKey is SPISZBSRGMYSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(11-14-7-4-5-10-16-14)17-12-15(18(2)3)8-6-9-15/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 105414670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).