N-(aminomethyl)-N-(2-methylpropyl)methanimidamide

C6H15N3 — CID 88959033

IUPACN-(aminomethyl)-N-(2-methylpropyl)methanimidamide
SMILES[H]/N=C/N(CN)CC(C)C
InChIInChI=1S/C6H15N3/c1-6(2)3-9(4-7)5-8/h4,6-7H,3,5,8H2,1-2H3/b7-4+
InChIKeyPQXIRVRDAKWSKO-QPJJXVBHSA-N
MW129.21 g/mol
LogP0.47
Rot. Bonds4

About N-(aminomethyl)-N-(2-methylpropyl)methanimidamide

N-(aminomethyl)-N-(2-methylpropyl)methanimidamide (PubChem CID 88959033) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is N-(aminomethyl)-N-(2-methylpropyl)methanimidamide.

Molecular Properties

Compound NameN-(aminomethyl)-N-(2-methylpropyl)methanimidamide
PubChem CID88959033
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC NameN-(aminomethyl)-N-(2-methylpropyl)methanimidamide
SMILES[H]/N=C/N(CN)CC(C)C
InChIInChI=1S/C6H15N3/c1-6(2)3-9(4-7)5-8/h4,6-7H,3,5,8H2,1-2H3/b7-4+
InChIKeyPQXIRVRDAKWSKO-QPJJXVBHSA-N
XLogP0.47
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 N-(aminomethyl)-N-(2-methylpropyl)methanimidamide?
The IUPAC name of N-(aminomethyl)-N-(2-methylpropyl)methanimidamide (CID 88959033) is N-(aminomethyl)-N-(2-methylpropyl)methanimidamide.
What is the SMILES notation for N-(aminomethyl)-N-(2-methylpropyl)methanimidamide?
The canonical SMILES for N-(aminomethyl)-N-(2-methylpropyl)methanimidamide is [H]/N=C/N(CN)CC(C)C.
What is the InChIKey of N-(aminomethyl)-N-(2-methylpropyl)methanimidamide?
The InChIKey is PQXIRVRDAKWSKO-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H15N3/c1-6(2)3-9(4-7)5-8/h4,6-7H,3,5,8H2,1-2H3/b7-4+.
What are the key properties of N-(aminomethyl)-N-(2-methylpropyl)methanimidamide?
N-(aminomethyl)-N-(2-methylpropyl)methanimidamide has a molecular weight of 129.21 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-N-(2-methylpropyl)methanimidamide is sourced from PubChem (CID 88959033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).