N,N-bis(2-methylpropyl)methanimidamide

C9H20N2 — CID 88590202

IUPACN,N-bis(2-methylpropyl)methanimidamide
SMILES[H]/N=C/N(CC(C)C)CC(C)C
InChIInChI=1S/C9H20N2/c1-8(2)5-11(7-10)6-9(3)4/h7-10H,5-6H2,1-4H3/b10-7+
InChIKeyPVLBXGOAMWLNFQ-JXMROGBWSA-N
MW156.27 g/mol
LogP2.21
Rot. Bonds5

About N,N-bis(2-methylpropyl)methanimidamide

N,N-bis(2-methylpropyl)methanimidamide (PubChem CID 88590202) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)methanimidamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)methanimidamide
PubChem CID88590202
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN,N-bis(2-methylpropyl)methanimidamide
SMILES[H]/N=C/N(CC(C)C)CC(C)C
InChIInChI=1S/C9H20N2/c1-8(2)5-11(7-10)6-9(3)4/h7-10H,5-6H2,1-4H3/b10-7+
InChIKeyPVLBXGOAMWLNFQ-JXMROGBWSA-N
XLogP2.21
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-bis(2-methylpropyl)methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)methanimidamide?
The IUPAC name of N,N-bis(2-methylpropyl)methanimidamide (CID 88590202) is N,N-bis(2-methylpropyl)methanimidamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)methanimidamide?
The canonical SMILES for N,N-bis(2-methylpropyl)methanimidamide is [H]/N=C/N(CC(C)C)CC(C)C.
What is the InChIKey of N,N-bis(2-methylpropyl)methanimidamide?
The InChIKey is PVLBXGOAMWLNFQ-JXMROGBWSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)5-11(7-10)6-9(3)4/h7-10H,5-6H2,1-4H3/b10-7+.
What are the key properties of N,N-bis(2-methylpropyl)methanimidamide?
N,N-bis(2-methylpropyl)methanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)methanimidamide is sourced from PubChem (CID 88590202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).