N-hexyl-N-phenylmethanimidamide

C13H20N2 — CID 154144971

IUPACN-hexyl-N-phenylmethanimidamide
SMILES[H]/N=C/N(CCCCCC)c1ccccc1
InChIInChI=1S/C13H20N2/c1-2-3-4-8-11-15(12-14)13-9-6-5-7-10-13/h5-7,9-10,12,14H,2-4,8,11H2,1H3/b14-12+
InChIKeyUDBWSKSOUJECJH-WYMLVPIESA-N
MW204.32 g/mol
LogP3.68
Rot. Bonds7

About N-hexyl-N-phenylmethanimidamide

N-hexyl-N-phenylmethanimidamide (PubChem CID 154144971) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-hexyl-N-phenylmethanimidamide.

Molecular Properties

Compound NameN-hexyl-N-phenylmethanimidamide
PubChem CID154144971
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-hexyl-N-phenylmethanimidamide
SMILES[H]/N=C/N(CCCCCC)c1ccccc1
InChIInChI=1S/C13H20N2/c1-2-3-4-8-11-15(12-14)13-9-6-5-7-10-13/h5-7,9-10,12,14H,2-4,8,11H2,1H3/b14-12+
InChIKeyUDBWSKSOUJECJH-WYMLVPIESA-N
XLogP3.68
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
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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Related Compounds

N-butyl-N-phenylmethaneselenoamide
CID 10490195
N-heptyl-N-pentylaniline
CID 154378615
N,N-di(nonyl)aniline
CID 22637953
butane;N-octyl-N-phenylaniline
CID 175431375
N-heptyl-N-methylaniline
CID 54015540
N,N-diheptylmethanimidamide
CID 91545093
N-dodecyl-N-phenylhydroxylamine
CID 159931126
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
N-(fluoromethyl)-N-hexylaniline
CID 22637345
tetrakis(N-heptylanilino)phosphanium iodide
CID 21238628
N-ethyl-N-[(E)-hexadec-1-enyl]aniline
CID 22151150
octyl(phenyl)carbamic acid
CID 54301990

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-phenylmethanimidamide?
The IUPAC name of N-hexyl-N-phenylmethanimidamide (CID 154144971) is N-hexyl-N-phenylmethanimidamide.
What is the SMILES notation for N-hexyl-N-phenylmethanimidamide?
The canonical SMILES for N-hexyl-N-phenylmethanimidamide is [H]/N=C/N(CCCCCC)c1ccccc1.
What is the InChIKey of N-hexyl-N-phenylmethanimidamide?
The InChIKey is UDBWSKSOUJECJH-WYMLVPIESA-N. The full InChI is InChI=1S/C13H20N2/c1-2-3-4-8-11-15(12-14)13-9-6-5-7-10-13/h5-7,9-10,12,14H,2-4,8,11H2,1H3/b14-12+.
What are the key properties of N-hexyl-N-phenylmethanimidamide?
N-hexyl-N-phenylmethanimidamide has a molecular weight of 204.32 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-phenylmethanimidamide is sourced from PubChem (CID 154144971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).