2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide

C15H27N3 — CID 65492128

IUPAC2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(C)CC2CC3CCC2C3)CC1
InChIInChI=1S/C15H27N3/c1-18(10-15(4-5-15)8-14(16)17)9-13-7-11-2-3-12(13)6-11/h11-13H,2-10H2,1H3,(H3,16,17)
InChIKeyIBLCDLWYLJIEES-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.46
Rot. Bonds6

About 2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide

2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 65492128) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID65492128
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(C)CC2CC3CCC2C3)CC1
InChIInChI=1S/C15H27N3/c1-18(10-15(4-5-15)8-14(16)17)9-13-7-11-2-3-12(13)6-11/h11-13H,2-10H2,1H3,(H3,16,17)
InChIKeyIBLCDLWYLJIEES-UHFFFAOYSA-N
XLogP2.46
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.46
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-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide
CID 63683483
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 55233839
[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63746094
N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 63682561
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63682795
N-[[3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63684055
2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide
CID 65496396
2-[1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
CID 65495003
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine
CID 79550427
[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide
CID 63685558
2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide
CID 65492162

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide (CID 65492128) is 2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN(C)CC2CC3CCC2C3)CC1.
What is the InChIKey of 2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is IBLCDLWYLJIEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-18(10-15(4-5-15)8-14(16)17)9-13-7-11-2-3-12(13)6-11/h11-13H,2-10H2,1H3,(H3,16,17).
What are the key properties of 2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide?
2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 249.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65492128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).