N-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide

C9H20N2 — CID 123885163

IUPACN-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide
SMILESCC(C)C/N=C/N(C)C(C)C
InChIInChI=1S/C9H20N2/c1-8(2)6-10-7-11(5)9(3)4/h7-9H,6H2,1-5H3/b10-7+
InChIKeyFXELVBAHTYHQGZ-JXMROGBWSA-N
MW156.27 g/mol
LogP2.01
Rot. Bonds4

About N-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide

N-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide (PubChem CID 123885163) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide
PubChem CID123885163
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide
SMILESCC(C)C/N=C/N(C)C(C)C
InChIInChI=1S/C9H20N2/c1-8(2)6-10-7-11(5)9(3)4/h7-9H,6H2,1-5H3/b10-7+
InChIKeyFXELVBAHTYHQGZ-JXMROGBWSA-N
XLogP2.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
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-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 12175794
CID 12175794
CID 91262184
CID 91262184
CID 523868
CID 523868
CID 102496413
CID 102496413
CID 6432752
CID 6432752
CID 11057444
CID 11057444
CID 13860850
CID 13860850
CID 21338725
CID 21338725
CID 22491722
CID 22491722
CID 54502299
CID 54502299
CID 54502300
CID 54502300
CID 58319947
CID 58319947

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide?
The IUPAC name of N-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide (CID 123885163) is N-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide?
The canonical SMILES for N-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide is CC(C)C/N=C/N(C)C(C)C.
What is the InChIKey of N-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide?
The InChIKey is FXELVBAHTYHQGZ-JXMROGBWSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)6-10-7-11(5)9(3)4/h7-9H,6H2,1-5H3/b10-7+.
What are the key properties of N-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide?
N-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2-methylpropyl)-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 123885163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).