N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide

C14H30N2 — CID 155177418

IUPACN'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide
SMILESCC/C(N)=N\C(C)(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-9-11(15)16-14(7,8)10-13(5,6)12(2,3)4/h9-10H2,1-8H3,(H2,15,16)
InChIKeyNPIZQONEAMONFH-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.99
Rot. Bonds4

About N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide

N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide (PubChem CID 155177418) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide.

Molecular Properties

Compound NameN'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide
PubChem CID155177418
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide
SMILESCC/C(N)=N\C(C)(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-9-11(15)16-14(7,8)10-13(5,6)12(2,3)4/h9-10H2,1-8H3,(H2,15,16)
InChIKeyNPIZQONEAMONFH-UHFFFAOYSA-N
XLogP3.99
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.99
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide?
The IUPAC name of N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide (CID 155177418) is N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide.
What is the SMILES notation for N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide?
The canonical SMILES for N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide is CC/C(N)=N\C(C)(C)CC(C)(C)C(C)(C)C.
What is the InChIKey of N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide?
The InChIKey is NPIZQONEAMONFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-9-11(15)16-14(7,8)10-13(5,6)12(2,3)4/h9-10H2,1-8H3,(H2,15,16).
What are the key properties of N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide?
N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide has a molecular weight of 226.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4,4,5,5-pentamethylhexan-2-yl)propanimidamide is sourced from PubChem (CID 155177418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).