N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine

C14H23N3 — CID 18525907

IUPACN-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine
SMILESCNCc1ccc(N2CCCN(C)CC2)cc1
InChIInChI=1S/C14H23N3/c1-15-12-13-4-6-14(7-5-13)17-9-3-8-16(2)10-11-17/h4-7,15H,3,8-12H2,1-2H3
InChIKeyNOEOYDRQGMQWID-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.55
Rot. Bonds3

About N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine

N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine (PubChem CID 18525907) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine
PubChem CID18525907
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine
SMILESCNCc1ccc(N2CCCN(C)CC2)cc1
InChIInChI=1S/C14H23N3/c1-15-12-13-4-6-14(7-5-13)17-9-3-8-16(2)10-11-17/h4-7,15H,3,8-12H2,1-2H3
InChIKeyNOEOYDRQGMQWID-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine (CID 18525907) is N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine is CNCc1ccc(N2CCCN(C)CC2)cc1.
What is the InChIKey of N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine?
The InChIKey is NOEOYDRQGMQWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-15-12-13-4-6-14(7-5-13)17-9-3-8-16(2)10-11-17/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine?
N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine is sourced from PubChem (CID 18525907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).