N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine

C10H23N3 — CID 23090509

IUPACN,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine
SMILESCN(C)CCC1CCNCCN1C
InChIInChI=1S/C10H23N3/c1-12(2)8-5-10-4-6-11-7-9-13(10)3/h10-11H,4-9H2,1-3H3
InChIKeyRXQGPDJIFSXITO-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.23
Rot. Bonds3

About N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine

N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine (PubChem CID 23090509) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine
PubChem CID23090509
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine
SMILESCN(C)CCC1CCNCCN1C
InChIInChI=1S/C10H23N3/c1-12(2)8-5-10-4-6-11-7-9-13(10)3/h10-11H,4-9H2,1-3H3
InChIKeyRXQGPDJIFSXITO-UHFFFAOYSA-N
XLogP0.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-1,4-diazepan-5-yl)methanol
CID 23090554
N,2-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]propan-1-amine
CID 115239559
N,N-dimethyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 142889902
N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine
CID 115239639
N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine
CID 115239598
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine
CID 115238510
N-methyl-2-(1-methylpiperidin-2-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
CID 120901057
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
N,N-dimethyl-2-(1-piperidin-4-ylcyclobutyl)ethanamine
CID 112716504
(2S)-2-(2-fluoroethyl)-1-methylpiperazine
CID 124660399

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine (CID 23090509) is N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine is CN(C)CCC1CCNCCN1C.
What is the InChIKey of N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine?
The InChIKey is RXQGPDJIFSXITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-12(2)8-5-10-4-6-11-7-9-13(10)3/h10-11H,4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine?
N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine has a molecular weight of 185.31 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methyl-1,4-diazepan-5-yl)ethanamine is sourced from PubChem (CID 23090509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).