N'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide

C12H25N3 — CID 63176510

IUPACN'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide
SMILESCC(C)CC(CN(C)C)/N=C(\N)C1CC1
InChIInChI=1S/C12H25N3/c1-9(2)7-11(8-15(3)4)14-12(13)10-5-6-10/h9-11H,5-8H2,1-4H3,(H2,13,14)
InChIKeyZMOOPRNRLCUPET-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.73
Rot. Bonds6

About N'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide

N'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide (PubChem CID 63176510) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide
PubChem CID63176510
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide
SMILESCC(C)CC(CN(C)C)/N=C(\N)C1CC1
InChIInChI=1S/C12H25N3/c1-9(2)7-11(8-15(3)4)14-12(13)10-5-6-10/h9-11H,5-8H2,1-4H3,(H2,13,14)
InChIKeyZMOOPRNRLCUPET-UHFFFAOYSA-N
XLogP1.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
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 N'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide?
The IUPAC name of N'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide (CID 63176510) is N'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide is CC(C)CC(CN(C)C)/N=C(\N)C1CC1.
What is the InChIKey of N'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide?
The InChIKey is ZMOOPRNRLCUPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-9(2)7-11(8-15(3)4)14-12(13)10-5-6-10/h9-11H,5-8H2,1-4H3,(H2,13,14).
What are the key properties of N'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide?
N'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide has a molecular weight of 211.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopropanecarboximidamide is sourced from PubChem (CID 63176510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).