N-pentylideneethanimidamide

C7H14N2 — CID 153377709

IUPACN-pentylideneethanimidamide
SMILES[H]/N=C(C)/N=C/CCCC
InChIInChI=1S/C7H14N2/c1-3-4-5-6-9-7(2)8/h6,8H,3-5H2,1-2H3/b8-7+,9-6+
InChIKeyNXDULXOMBPYIHV-KHHFIZIMSA-N
MW126.20 g/mol
LogP2.24
Rot. Bonds3

About N-pentylideneethanimidamide

N-pentylideneethanimidamide (PubChem CID 153377709) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-pentylideneethanimidamide.

Molecular Properties

Compound NameN-pentylideneethanimidamide
PubChem CID153377709
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-pentylideneethanimidamide
SMILES[H]/N=C(C)/N=C/CCCC
InChIInChI=1S/C7H14N2/c1-3-4-5-6-9-7(2)8/h6,8H,3-5H2,1-2H3/b8-7+,9-6+
InChIKeyNXDULXOMBPYIHV-KHHFIZIMSA-N
XLogP2.24
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.24
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-(4-phenylbutylidene)ethanimidamide
CID 134577417
pentylidenecarbamothioic S-acid
CID 91149541
hexylidenecarbamothioic S-acid
CID 91574516
carbonic acid;1-methyl-1-(pentylideneamino)guanidine
CID 129017295
N-tridecylidenedodecanamide
CID 87784437
[(E)-heptylideneamino]-trimethylazanium iodide
CID 54607159
(NE)-N-octylidenehydroxylamine
CID 5385260
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
heptane;propan-2-imine
CID 142132555
N-dodecylideneformamide
CID 57101049
heptan-2-imine;propane;tungsten
CID 57359574
N-octylideneformamide
CID 57254317

Frequently Asked Questions

What is the IUPAC name of N-pentylideneethanimidamide?
The IUPAC name of N-pentylideneethanimidamide (CID 153377709) is N-pentylideneethanimidamide.
What is the SMILES notation for N-pentylideneethanimidamide?
The canonical SMILES for N-pentylideneethanimidamide is [H]/N=C(C)/N=C/CCCC.
What is the InChIKey of N-pentylideneethanimidamide?
The InChIKey is NXDULXOMBPYIHV-KHHFIZIMSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-4-5-6-9-7(2)8/h6,8H,3-5H2,1-2H3/b8-7+,9-6+.
What are the key properties of N-pentylideneethanimidamide?
N-pentylideneethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylideneethanimidamide is sourced from PubChem (CID 153377709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).