4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide

C15H21N3 — CID 114483459

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CC3CCC2C3)c(C)c1
InChIInChI=1S/C15H21N3/c1-10-6-12(15(16)17)3-4-13(10)9-18-8-11-2-5-14(18)7-11/h3-4,6,11,14H,2,5,7-9H2,1H3,(H3,16,17)
InChIKeyBRULFZXWPPWKSF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.26
Rot. Bonds3

About 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide

4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide (PubChem CID 114483459) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide
PubChem CID114483459
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CC3CCC2C3)c(C)c1
InChIInChI=1S/C15H21N3/c1-10-6-12(15(16)17)3-4-13(10)9-18-8-11-2-5-14(18)7-11/h3-4,6,11,14H,2,5,7-9H2,1H3,(H3,16,17)
InChIKeyBRULFZXWPPWKSF-UHFFFAOYSA-N
XLogP2.26
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.26
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

2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarboximidamide
CID 54980724
4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483636
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 103534175
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-methylbenzenecarboximidamide
CID 114483448
4-[(3-ethylmorpholin-4-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483402
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483620
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483551
4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483641
4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483832
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide
CID 114483486
3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide
CID 114483792
4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483656

Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide (CID 114483459) is 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CC3CCC2C3)c(C)c1.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide?
The InChIKey is BRULFZXWPPWKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-6-12(15(16)17)3-4-13(10)9-18-8-11-2-5-14(18)7-11/h3-4,6,11,14H,2,5,7-9H2,1H3,(H3,16,17).
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide?
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide has a molecular weight of 243.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).