N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine

C17H35N3 — CID 80999749

IUPACN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(C)CC1CCN(C)CC1
InChIInChI=1S/C17H35N3/c1-14(2)11-18-12-16-5-6-17(16)20(4)13-15-7-9-19(3)10-8-15/h14-18H,5-13H2,1-4H3
InChIKeyULCFLIZKHWBZNJ-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.28
Rot. Bonds7

About N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine (PubChem CID 80999749) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
PubChem CID80999749
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
SMILESCC(C)CNCC1CCC1N(C)CC1CCN(C)CC1
InChIInChI=1S/C17H35N3/c1-14(2)11-18-12-16-5-6-17(16)20(4)13-15-7-9-19(3)10-8-15/h14-18H,5-13H2,1-4H3
InChIKeyULCFLIZKHWBZNJ-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 80998479
2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 80998648
3-N,2-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81018774
N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80998488
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83053845
N-[(4-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80995922
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
2-N,2-N,4-trimethyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 55099605
N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine
CID 80997953
N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 81004867
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine (CID 80999749) is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine is CC(C)CNCC1CCC1N(C)CC1CCN(C)CC1.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
The InChIKey is ULCFLIZKHWBZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-14(2)11-18-12-16-5-6-17(16)20(4)13-15-7-9-19(3)10-8-15/h14-18H,5-13H2,1-4H3.
What are the key properties of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine?
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 80999749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).