1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C15H32N4 — CID 105421291

IUPAC1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(CCN1CCCNCC1)CC1(N(C)C)CCC1
InChIInChI=1S/C15H32N4/c1-17(2)15(6-4-7-15)14-18(3)12-13-19-10-5-8-16-9-11-19/h16H,4-14H2,1-3H3
InChIKeyPQYQKGJUGFKVNZ-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.70
Rot. Bonds6

About 1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105421291) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105421291
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(CCN1CCCNCC1)CC1(N(C)C)CCC1
InChIInChI=1S/C15H32N4/c1-17(2)15(6-4-7-15)14-18(3)12-13-19-10-5-8-16-9-11-19/h16H,4-14H2,1-3H3
InChIKeyPQYQKGJUGFKVNZ-UHFFFAOYSA-N
XLogP0.70
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[[methyl(2-piperazin-1-ylethyl)amino]methyl]cyclobutan-1-amine
CID 105414842
2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63274337
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620
2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 62833835
2-(1,4-diazepan-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62833124
2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine
CID 55121020
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine
CID 56965528
1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane
CID 107165077
N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 63265346

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105421291) is 1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(CCN1CCCNCC1)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is PQYQKGJUGFKVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-17(2)15(6-4-7-15)14-18(3)12-13-19-10-5-8-16-9-11-19/h16H,4-14H2,1-3H3.
What are the key properties of 1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 268.45 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105421291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).