4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine

C14H23N3 — CID 3071178

IUPAC4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine
SMILESCC(NN1CCCN(C)CC1)c1ccccc1
InChIInChI=1S/C14H23N3/c1-13(14-7-4-3-5-8-14)15-17-10-6-9-16(2)11-12-17/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyNIGQXJIPIUMGDP-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.89
Rot. Bonds3

About 4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine

4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine (PubChem CID 3071178) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine
PubChem CID3071178
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine
SMILESCC(NN1CCCN(C)CC1)c1ccccc1
InChIInChI=1S/C14H23N3/c1-13(14-7-4-3-5-8-14)15-17-10-6-9-16(2)11-12-17/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyNIGQXJIPIUMGDP-UHFFFAOYSA-N
XLogP1.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine?
The IUPAC name of 4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine (CID 3071178) is 4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine.
What is the SMILES notation for 4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine?
The canonical SMILES for 4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine is CC(NN1CCCN(C)CC1)c1ccccc1.
What is the InChIKey of 4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine?
The InChIKey is NIGQXJIPIUMGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-13(14-7-4-3-5-8-14)15-17-10-6-9-16(2)11-12-17/h3-5,7-8,13,15H,6,9-12H2,1-2H3.
What are the key properties of 4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine?
4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylethyl)-1,4-diazepan-1-amine is sourced from PubChem (CID 3071178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).