N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide

C9H21N5 — CID 104883153

IUPACN-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide
SMILESCC/N=C(\NN)N1CCCN(C)CC1
InChIInChI=1S/C9H21N5/c1-3-11-9(12-10)14-6-4-5-13(2)7-8-14/h3-8,10H2,1-2H3,(H,11,12)
InChIKeyVNBRTHYFCUMQDZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.54
Rot. Bonds1

About N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide

N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide (PubChem CID 104883153) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide
PubChem CID104883153
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC NameN-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide
SMILESCC/N=C(\NN)N1CCCN(C)CC1
InChIInChI=1S/C9H21N5/c1-3-11-9(12-10)14-6-4-5-13(2)7-8-14/h3-8,10H2,1-2H3,(H,11,12)
InChIKeyVNBRTHYFCUMQDZ-UHFFFAOYSA-N
XLogP-0.54
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-ethyl-4-methylpiperazine-1-carboximidamide
CID 104883273
N-amino-N'-ethyl-4-(2-hydroxyethyl)piperazine-1-carboximidamide
CID 104883423
N-amino-N'-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 104887396
N-amino-N'-ethyl-2,2-dimethylpyrrolidine-1-carboximidamide
CID 104885911
N-amino-4-(2,3-dimethylphenyl)-N'-ethylpiperazine-1-carboximidamide
CID 116512785
N-amino-3,3,4-trimethyl-N'-propylpiperazine-1-carboximidamide
CID 104886293
N,4-dimethyl-1,4-diazepane-1-carboxamide
CID 59680276
ethyl 4-[N-ethyl-N'-[3-(4-methyl-1,4-diazepan-1-yl)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163404
4-methyl-1,4-diazepane-1-carboximidamide
CID 43209360
N-amino-N'-butyl-3,3,4-trimethylpiperazine-1-carboximidamide
CID 104886290
N-amino-N'-butyl-4-propan-2-ylpiperazine-1-carboximidamide
CID 104883912
N-amino-N'-propylthiomorpholine-4-carboximidamide
CID 104883433

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide?
The IUPAC name of N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide (CID 104883153) is N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide.
What is the SMILES notation for N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide?
The canonical SMILES for N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide is CC/N=C(\NN)N1CCCN(C)CC1.
What is the InChIKey of N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide?
The InChIKey is VNBRTHYFCUMQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5/c1-3-11-9(12-10)14-6-4-5-13(2)7-8-14/h3-8,10H2,1-2H3,(H,11,12).
What are the key properties of N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide?
N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethyl-4-methyl-1,4-diazepane-1-carboximidamide is sourced from PubChem (CID 104883153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).