N,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide

C9H20N2 — CID 54502300

IUPACN,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide
SMILESCC[C@@H](/N=C/N(C)C)C(C)C
InChIInChI=1S/C9H20N2/c1-6-9(8(2)3)10-7-11(4)5/h7-9H,6H2,1-5H3/b10-7+/t9-/m1/s1
InChIKeyYDGZXLWDTAVRTH-YIXGCBLDSA-N
MW156.27 g/mol
LogP2.01
Rot. Bonds4

About N,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide

N,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide (PubChem CID 54502300) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide
PubChem CID54502300
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide
SMILESCC[C@@H](/N=C/N(C)C)C(C)C
InChIInChI=1S/C9H20N2/c1-6-9(8(2)3)10-7-11(4)5/h7-9H,6H2,1-5H3/b10-7+/t9-/m1/s1
InChIKeyYDGZXLWDTAVRTH-YIXGCBLDSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide (CID 54502300) is N,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide is CC[C@@H](/N=C/N(C)C)C(C)C.
What is the InChIKey of N,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide?
The InChIKey is YDGZXLWDTAVRTH-YIXGCBLDSA-N. The full InChI is InChI=1S/C9H20N2/c1-6-9(8(2)3)10-7-11(4)5/h7-9H,6H2,1-5H3/b10-7+/t9-/m1/s1.
What are the key properties of N,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide?
N,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide 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,N-dimethyl-N'-[(3R)-2-methylpentan-3-yl]methanimidamide is sourced from PubChem (CID 54502300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).