1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C16H31N3 — CID 105418059

IUPAC1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(CC1(N(C)C)CCC1)C1CCC1CNC1CC1
InChIInChI=1S/C16H31N3/c1-18(2)16(9-4-10-16)12-19(3)15-8-5-13(15)11-17-14-6-7-14/h13-15,17H,4-12H2,1-3H3
InChIKeyUDYBHQQYOYPWDO-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.93
Rot. Bonds7

About 1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105418059) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105418059
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(CC1(N(C)C)CCC1)C1CCC1CNC1CC1
InChIInChI=1S/C16H31N3/c1-18(2)16(9-4-10-16)12-19(3)15-8-5-13(15)11-17-14-6-7-14/h13-15,17H,4-12H2,1-3H3
InChIKeyUDYBHQQYOYPWDO-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105418059) is 1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(CC1(N(C)C)CCC1)C1CCC1CNC1CC1.
What is the InChIKey of 1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is UDYBHQQYOYPWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-18(2)16(9-4-10-16)12-19(3)15-8-5-13(15)11-17-14-6-7-14/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105418059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).