N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine

C11H23N3 — CID 134426653

IUPACN,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine
SMILESC=C1CCN(C)CCN1CCN(C)C
InChIInChI=1S/C11H23N3/c1-11-5-6-13(4)8-10-14(11)9-7-12(2)3/h1,5-10H2,2-4H3
InChIKeyUXQYZLMPLOAEFU-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.70
Rot. Bonds3

About N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine

N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine (PubChem CID 134426653) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine
PubChem CID134426653
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine
SMILESC=C1CCN(C)CCN1CCN(C)C
InChIInChI=1S/C11H23N3/c1-11-5-6-13(4)8-10-14(11)9-7-12(2)3/h1,5-10H2,2-4H3
InChIKeyUXQYZLMPLOAEFU-UHFFFAOYSA-N
XLogP0.70
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine (CID 134426653) is N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine is C=C1CCN(C)CCN1CCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine?
The InChIKey is UXQYZLMPLOAEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-11-5-6-13(4)8-10-14(11)9-7-12(2)3/h1,5-10H2,2-4H3.
What are the key properties of N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine?
N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine has a molecular weight of 197.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methyl-7-methylidene-1,4-diazepan-1-yl)ethanamine is sourced from PubChem (CID 134426653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).