N-benzyl-2-(1,4-diazepan-1-yl)ethanamine

C14H23N3 — CID 62833127

IUPACN-benzyl-2-(1,4-diazepan-1-yl)ethanamine
SMILESc1ccc(CNCCN2CCCNCC2)cc1
InChIInChI=1S/C14H23N3/c1-2-5-14(6-3-1)13-16-9-12-17-10-4-7-15-8-11-17/h1-3,5-6,15-16H,4,7-13H2
InChIKeyZVIRMXMAEJPTAR-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.07
Rot. Bonds5

About N-benzyl-2-(1,4-diazepan-1-yl)ethanamine

N-benzyl-2-(1,4-diazepan-1-yl)ethanamine (PubChem CID 62833127) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-benzyl-2-(1,4-diazepan-1-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(1,4-diazepan-1-yl)ethanamine
PubChem CID62833127
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-benzyl-2-(1,4-diazepan-1-yl)ethanamine
SMILESc1ccc(CNCCN2CCCNCC2)cc1
InChIInChI=1S/C14H23N3/c1-2-5-14(6-3-1)13-16-9-12-17-10-4-7-15-8-11-17/h1-3,5-6,15-16H,4,7-13H2
InChIKeyZVIRMXMAEJPTAR-UHFFFAOYSA-N
XLogP1.07
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-piperazin-1-ylethanamine
CID 14900561
1-(2-phenylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 14869439
N-[(2-chlorophenyl)methyl]-2-piperazin-1-ylethanamine
CID 18778415
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
N-benzyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 62575078
N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine
CID 82353074
1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43599791
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66409144
4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoic acid
CID 55097521
1-phenyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 21152799

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,4-diazepan-1-yl)ethanamine?
The IUPAC name of N-benzyl-2-(1,4-diazepan-1-yl)ethanamine (CID 62833127) is N-benzyl-2-(1,4-diazepan-1-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(1,4-diazepan-1-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(1,4-diazepan-1-yl)ethanamine is c1ccc(CNCCN2CCCNCC2)cc1.
What is the InChIKey of N-benzyl-2-(1,4-diazepan-1-yl)ethanamine?
The InChIKey is ZVIRMXMAEJPTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-5-14(6-3-1)13-16-9-12-17-10-4-7-15-8-11-17/h1-3,5-6,15-16H,4,7-13H2.
What are the key properties of N-benzyl-2-(1,4-diazepan-1-yl)ethanamine?
N-benzyl-2-(1,4-diazepan-1-yl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,4-diazepan-1-yl)ethanamine is sourced from PubChem (CID 62833127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).