N'-heptyl-N,N,2,2-tetramethylpropanimidamide

C14H30N2 — CID 525903

IUPACN'-heptyl-N,N,2,2-tetramethylpropanimidamide
SMILESCCCCCCC/N=C(\N(C)C)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-7-8-9-10-11-12-15-13(16(5)6)14(2,3)4/h7-12H2,1-6H3/b15-13-
InChIKeyQXHUDCRFGYRCOC-SQFISAMPSA-N
MW226.41 g/mol
LogP3.96
Rot. Bonds6

About N'-heptyl-N,N,2,2-tetramethylpropanimidamide

N'-heptyl-N,N,2,2-tetramethylpropanimidamide (PubChem CID 525903) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-heptyl-N,N,2,2-tetramethylpropanimidamide.

Molecular Properties

Compound NameN'-heptyl-N,N,2,2-tetramethylpropanimidamide
PubChem CID525903
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-heptyl-N,N,2,2-tetramethylpropanimidamide
SMILESCCCCCCC/N=C(\N(C)C)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-7-8-9-10-11-12-15-13(16(5)6)14(2,3)4/h7-12H2,1-6H3/b15-13-
InChIKeyQXHUDCRFGYRCOC-SQFISAMPSA-N
XLogP3.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-heptyl-N,N,2,2-tetramethylpropanimidamide?
The IUPAC name of N'-heptyl-N,N,2,2-tetramethylpropanimidamide (CID 525903) is N'-heptyl-N,N,2,2-tetramethylpropanimidamide.
What is the SMILES notation for N'-heptyl-N,N,2,2-tetramethylpropanimidamide?
The canonical SMILES for N'-heptyl-N,N,2,2-tetramethylpropanimidamide is CCCCCCC/N=C(\N(C)C)C(C)(C)C.
What is the InChIKey of N'-heptyl-N,N,2,2-tetramethylpropanimidamide?
The InChIKey is QXHUDCRFGYRCOC-SQFISAMPSA-N. The full InChI is InChI=1S/C14H30N2/c1-7-8-9-10-11-12-15-13(16(5)6)14(2,3)4/h7-12H2,1-6H3/b15-13-.
What are the key properties of N'-heptyl-N,N,2,2-tetramethylpropanimidamide?
N'-heptyl-N,N,2,2-tetramethylpropanimidamide has a molecular weight of 226.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptyl-N,N,2,2-tetramethylpropanimidamide is sourced from PubChem (CID 525903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).