3-[(4-ethylcyclohexyl)-methylamino]propanimidamide

C12H25N3 — CID 61448961

IUPAC3-[(4-ethylcyclohexyl)-methylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)C1CCC(CC)CC1
InChIInChI=1S/C12H25N3/c1-3-10-4-6-11(7-5-10)15(2)9-8-12(13)14/h10-11H,3-9H2,1-2H3,(H3,13,14)
InChIKeyLAGFLTILCJTEOW-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.21
Rot. Bonds5

About 3-[(4-ethylcyclohexyl)-methylamino]propanimidamide

3-[(4-ethylcyclohexyl)-methylamino]propanimidamide (PubChem CID 61448961) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)-methylamino]propanimidamide.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)-methylamino]propanimidamide
PubChem CID61448961
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name3-[(4-ethylcyclohexyl)-methylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)C1CCC(CC)CC1
InChIInChI=1S/C12H25N3/c1-3-10-4-6-11(7-5-10)15(2)9-8-12(13)14/h10-11H,3-9H2,1-2H3,(H3,13,14)
InChIKeyLAGFLTILCJTEOW-UHFFFAOYSA-N
XLogP2.21
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide
CID 64750263
3-[(4-ethylcyclohexyl)-methylamino]propanethioamide
CID 61450716
5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide
CID 54967192
3-[methyl(oxan-3-yl)amino]propanimidamide
CID 107134910
3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide
CID 64989198
5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide
CID 55004270
4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 54948412
3-[(2-hydroxycyclohexyl)-methylamino]propanimidamide
CID 102632451
3-[ethyl-(4-methylcyclohexyl)amino]propanimidamide
CID 64750264
3-[(4-ethylcyclohexyl)-methylamino]propanenitrile
CID 61450909
5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one
CID 61449187
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)-methylamino]propanimidamide?
The IUPAC name of 3-[(4-ethylcyclohexyl)-methylamino]propanimidamide (CID 61448961) is 3-[(4-ethylcyclohexyl)-methylamino]propanimidamide.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)-methylamino]propanimidamide?
The canonical SMILES for 3-[(4-ethylcyclohexyl)-methylamino]propanimidamide is [H]/N=C(\N)CCN(C)C1CCC(CC)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)-methylamino]propanimidamide?
The InChIKey is LAGFLTILCJTEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-10-4-6-11(7-5-10)15(2)9-8-12(13)14/h10-11H,3-9H2,1-2H3,(H3,13,14).
What are the key properties of 3-[(4-ethylcyclohexyl)-methylamino]propanimidamide?
3-[(4-ethylcyclohexyl)-methylamino]propanimidamide has a molecular weight of 211.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)-methylamino]propanimidamide is sourced from PubChem (CID 61448961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).