3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide

C13H25N3 — CID 63683135

IUPAC3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC1CC2CCC1C2
InChIInChI=1S/C13H25N3/c1-9(13(14)15)7-16(2)8-12-6-10-3-4-11(12)5-10/h9-12H,3-8H2,1-2H3,(H3,14,15)
InChIKeyNYAFMROGUKYKLB-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.93
Rot. Bonds5

About 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide

3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide (PubChem CID 63683135) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide
PubChem CID63683135
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CC1CC2CCC1C2
InChIInChI=1S/C13H25N3/c1-9(13(14)15)7-16(2)8-12-6-10-3-4-11(12)5-10/h9-12H,3-8H2,1-2H3,(H3,14,15)
InChIKeyNYAFMROGUKYKLB-UHFFFAOYSA-N
XLogP1.93
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide (CID 63683135) is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(C)CC1CC2CCC1C2.
What is the InChIKey of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide?
The InChIKey is NYAFMROGUKYKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-9(13(14)15)7-16(2)8-12-6-10-3-4-11(12)5-10/h9-12H,3-8H2,1-2H3,(H3,14,15).
What are the key properties of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide?
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide has a molecular weight of 223.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 63683135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).