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

C14H27N3 — CID 63683310

IUPAC3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)CC1CC2CCC1C2
InChIInChI=1S/C14H27N3/c1-3-13(8-14(15)16)17(2)9-12-7-10-4-5-11(12)6-10/h10-13H,3-9H2,1-2H3,(H3,15,16)
InChIKeyBMPYUMUUXVFZAN-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.46
Rot. Bonds6

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

3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide (PubChem CID 63683310) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide.

Molecular Properties

Compound Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide
PubChem CID63683310
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)CC1CC2CCC1C2
InChIInChI=1S/C14H27N3/c1-3-13(8-14(15)16)17(2)9-12-7-10-4-5-11(12)6-10/h10-13H,3-9H2,1-2H3,(H3,15,16)
InChIKeyBMPYUMUUXVFZAN-UHFFFAOYSA-N
XLogP2.46
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide?
The IUPAC name of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide (CID 63683310) is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide.
What is the SMILES notation for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide?
The canonical SMILES for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide is [H]/N=C(\N)CC(CC)N(C)CC1CC2CCC1C2.
What is the InChIKey of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide?
The InChIKey is BMPYUMUUXVFZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-13(8-14(15)16)17(2)9-12-7-10-4-5-11(12)6-10/h10-13H,3-9H2,1-2H3,(H3,15,16).
What are the key properties of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide?
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide has a molecular weight of 237.39 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 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide is sourced from PubChem (CID 63683310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).