4-Ethylazepane-1-carboximidamide

C9H19N3 — CID 64356251

IUPAC4-ethylazepane-1-carboximidamide
SMILESCCC1CCCN(CC1)C(=N)N
InChIInChI=1S/C9H19N3/c1-2-8-4-3-6-12(7-5-8)9(10)11/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyCUXLQRJMOVXFKN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.40
Rot. Bonds2

About 4-Ethylazepane-1-carboximidamide

4-Ethylazepane-1-carboximidamide (PubChem CID 64356251) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-ethylazepane-1-carboximidamide.

Molecular Properties

Compound Name4-Ethylazepane-1-carboximidamide
PubChem CID64356251
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name4-ethylazepane-1-carboximidamide
SMILESCCC1CCCN(CC1)C(=N)N
InChIInChI=1S/C9H19N3/c1-2-8-4-3-6-12(7-5-8)9(10)11/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyCUXLQRJMOVXFKN-UHFFFAOYSA-N
XLogP1.40
TPSA53.10 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity156

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,1-Bis(2-ethylhexyl)guanidine
CID 20070093
3-(2-Methylpropyl)pyrrolidine-1-carboximidamide
CID 21018803
1-(2-Ethylhexyl)-1-methylguanidine
CID 23103981
3-Ethylpiperidine-1-carboximidamide
CID 43584617
4-Propylpiperidine-1-carboximidamide
CID 57171494
3-Propan-2-ylpiperidine-1-carboximidamide
CID 57747711
1-(4-Methylazepan-1-yl)ethanimine
CID 63626190
4-Methylazepane-1-carboximidamide
CID 63627751
3-Propylpyrrolidine-1-carboximidamide
CID 68188511
1,3-Bis(3-methylbutyl)-1,3-diazepan-2-imine
CID 70518958
1-Methyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine
CID 89772185
1,1,3,3-Tetrakis(5-methylhexyl)guanidine
CID 121302604

Frequently Asked Questions

What is the IUPAC name of 4-Ethylazepane-1-carboximidamide?
The IUPAC name of 4-Ethylazepane-1-carboximidamide (CID 64356251) is 4-ethylazepane-1-carboximidamide.
What is the SMILES notation for 4-Ethylazepane-1-carboximidamide?
The canonical SMILES for 4-Ethylazepane-1-carboximidamide is CCC1CCCN(CC1)C(=N)N.
What is the InChIKey of 4-Ethylazepane-1-carboximidamide?
The InChIKey is CUXLQRJMOVXFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-8-4-3-6-12(7-5-8)9(10)11/h8H,2-7H2,1H3,(H3,10,11).
What are the key properties of 4-Ethylazepane-1-carboximidamide?
4-Ethylazepane-1-carboximidamide has a molecular weight of 169.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Ethylazepane-1-carboximidamide is sourced from PubChem (CID 64356251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).