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

C13H25N3 — CID 63683483

IUPAC3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CC1CC2CCC1C2
InChIInChI=1S/C13H25N3/c1-9(5-13(14)15)16(2)8-12-7-10-3-4-11(12)6-10/h9-12H,3-8H2,1-2H3,(H3,14,15)
InChIKeySDLNKHOKDNNFCU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.07
Rot. Bonds5

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

3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide (PubChem CID 63683483) 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]butanimidamide.

Molecular Properties

Compound Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide
PubChem CID63683483
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CC1CC2CCC1C2
InChIInChI=1S/C13H25N3/c1-9(5-13(14)15)16(2)8-12-7-10-3-4-11(12)6-10/h9-12H,3-8H2,1-2H3,(H3,14,15)
InChIKeySDLNKHOKDNNFCU-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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

ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate
CID 63683321
3-[cyclopropylmethyl(methyl)amino]butanimidamide
CID 60984083
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide
CID 63682682
2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide
CID 65492128
3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 61431844
3-[methyl(oxan-3-ylmethyl)amino]butanimidamide
CID 63712398
3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanimidamide
CID 116522034
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63681872
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine
CID 63682552
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 63681876
3-[(3,4-dimethylcyclohexyl)-methylamino]butanimidamide
CID 64740957
tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 66339070

Frequently Asked Questions

What is the IUPAC name of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide?
The IUPAC name of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide (CID 63683483) is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide.
What is the SMILES notation for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide?
The canonical SMILES for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(C)CC1CC2CCC1C2.
What is the InChIKey of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide?
The InChIKey is SDLNKHOKDNNFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-9(5-13(14)15)16(2)8-12-7-10-3-4-11(12)6-10/h9-12H,3-8H2,1-2H3,(H3,14,15).
What are the key properties of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide?
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide has a molecular weight of 223.36 g/mol, XLogP of 2.07, 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]butanimidamide is sourced from PubChem (CID 63683483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).