3-(2-ethylazepan-1-yl)-2-methylpropanimidamide

C12H25N3 — CID 104690087

IUPAC3-(2-ethylazepan-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCCCCC1CC
InChIInChI=1S/C12H25N3/c1-3-11-7-5-4-6-8-15(11)9-10(2)12(13)14/h10-11H,3-9H2,1-2H3,(H3,13,14)
InChIKeySZQDDROHNAXUPJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.21
Rot. Bonds4

About 3-(2-ethylazepan-1-yl)-2-methylpropanimidamide

3-(2-ethylazepan-1-yl)-2-methylpropanimidamide (PubChem CID 104690087) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(2-ethylazepan-1-yl)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(2-ethylazepan-1-yl)-2-methylpropanimidamide
PubChem CID104690087
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name3-(2-ethylazepan-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCCCCC1CC
InChIInChI=1S/C12H25N3/c1-3-11-7-5-4-6-8-15(11)9-10(2)12(13)14/h10-11H,3-9H2,1-2H3,(H3,13,14)
InChIKeySZQDDROHNAXUPJ-UHFFFAOYSA-N
XLogP2.21
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368014
2-methyl-3-(2-methylpiperidin-1-yl)propanimidamide
CID 43367810
1-cyclohexyl-2-(2-ethylpiperidin-1-yl)ethanamine
CID 113448010
3-(2-ethylazepan-1-yl)butanimidamide
CID 104690079
1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol
CID 104691333
3-(2-ethylazepan-1-yl)-2-methylpropanal
CID 112545832
(2S)-1-(2-ethylpyrrolidin-1-yl)propan-2-amine
CID 103934506
2-[(2-ethylazepan-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366456
2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine
CID 104689096
3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569
4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine
CID 80544432
[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690316

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylazepan-1-yl)-2-methylpropanimidamide?
The IUPAC name of 3-(2-ethylazepan-1-yl)-2-methylpropanimidamide (CID 104690087) is 3-(2-ethylazepan-1-yl)-2-methylpropanimidamide.
What is the SMILES notation for 3-(2-ethylazepan-1-yl)-2-methylpropanimidamide?
The canonical SMILES for 3-(2-ethylazepan-1-yl)-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCCCCC1CC.
What is the InChIKey of 3-(2-ethylazepan-1-yl)-2-methylpropanimidamide?
The InChIKey is SZQDDROHNAXUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-11-7-5-4-6-8-15(11)9-10(2)12(13)14/h10-11H,3-9H2,1-2H3,(H3,13,14).
What are the key properties of 3-(2-ethylazepan-1-yl)-2-methylpropanimidamide?
3-(2-ethylazepan-1-yl)-2-methylpropanimidamide has a molecular weight of 211.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylazepan-1-yl)-2-methylpropanimidamide is sourced from PubChem (CID 104690087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).