N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine

C17H29N3 — CID 105417787

IUPACN,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine
SMILESCNCc1ccccc1CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C17H29N3/c1-18-12-15-8-5-6-9-16(15)13-20(4)14-17(19(2)3)10-7-11-17/h5-6,8-9,18H,7,10-14H2,1-4H3
InChIKeyLJPYHMIXZCNJMT-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.32
Rot. Bonds7

About N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine

N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine (PubChem CID 105417787) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine
PubChem CID105417787
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine
SMILESCNCc1ccccc1CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C17H29N3/c1-18-12-15-8-5-6-9-16(15)13-20(4)14-17(19(2)3)10-7-11-17/h5-6,8-9,18H,7,10-14H2,1-4H3
InChIKeyLJPYHMIXZCNJMT-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 107113662
1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62437137
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274761
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 62424027
N,N-dimethyl-1-[[methyl(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 105421361
1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416309
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105417520
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 81067280
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105413427
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 105415064
2-[(cyclopropylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105416055
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine
CID 55074902

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine (CID 105417787) is N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine is CNCc1ccccc1CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine?
The InChIKey is LJPYHMIXZCNJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-18-12-15-8-5-6-9-16(15)13-20(4)14-17(19(2)3)10-7-11-17/h5-6,8-9,18H,7,10-14H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[methyl-[[2-(methylaminomethyl)phenyl]methyl]amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 105417787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).