6-(aminomethyl)-4-methyloctanimidamide

C10H23N3 — CID 134453330

IUPAC6-(aminomethyl)-4-methyloctanimidamide
SMILES[H]/N=C(\N)CCC(C)CC(CC)CN
InChIInChI=1S/C10H23N3/c1-3-9(7-11)6-8(2)4-5-10(12)13/h8-9H,3-7,11H2,1-2H3,(H3,12,13)
InChIKeyKSZQJIWHOXQKMX-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.71
Rot. Bonds7

About 6-(aminomethyl)-4-methyloctanimidamide

6-(aminomethyl)-4-methyloctanimidamide (PubChem CID 134453330) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 6-(aminomethyl)-4-methyloctanimidamide.

Molecular Properties

Compound Name6-(aminomethyl)-4-methyloctanimidamide
PubChem CID134453330
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name6-(aminomethyl)-4-methyloctanimidamide
SMILES[H]/N=C(\N)CCC(C)CC(CC)CN
InChIInChI=1S/C10H23N3/c1-3-9(7-11)6-8(2)4-5-10(12)13/h8-9H,3-7,11H2,1-2H3,(H3,12,13)
InChIKeyKSZQJIWHOXQKMX-UHFFFAOYSA-N
XLogP1.71
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.71
H-Bond Donors ≤ 53
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 6-(aminomethyl)-4-methyloctanimidamide?
The IUPAC name of 6-(aminomethyl)-4-methyloctanimidamide (CID 134453330) is 6-(aminomethyl)-4-methyloctanimidamide.
What is the SMILES notation for 6-(aminomethyl)-4-methyloctanimidamide?
The canonical SMILES for 6-(aminomethyl)-4-methyloctanimidamide is [H]/N=C(\N)CCC(C)CC(CC)CN.
What is the InChIKey of 6-(aminomethyl)-4-methyloctanimidamide?
The InChIKey is KSZQJIWHOXQKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-3-9(7-11)6-8(2)4-5-10(12)13/h8-9H,3-7,11H2,1-2H3,(H3,12,13).
What are the key properties of 6-(aminomethyl)-4-methyloctanimidamide?
6-(aminomethyl)-4-methyloctanimidamide has a molecular weight of 185.31 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-methyloctanimidamide is sourced from PubChem (CID 134453330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).