4-propoxypentanimidamide

C8H18N2O — CID 158121909

IUPAC4-propoxypentanimidamide
SMILES[H]/N=C(\N)CCC(C)OCCC
InChIInChI=1S/C8H18N2O/c1-3-6-11-7(2)4-5-8(9)10/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyVEWOADQYEIWRHA-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.52
Rot. Bonds6

About 4-propoxypentanimidamide

4-propoxypentanimidamide (PubChem CID 158121909) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 4-propoxypentanimidamide.

Molecular Properties

Compound Name4-propoxypentanimidamide
PubChem CID158121909
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name4-propoxypentanimidamide
SMILES[H]/N=C(\N)CCC(C)OCCC
InChIInChI=1S/C8H18N2O/c1-3-6-11-7(2)4-5-8(9)10/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyVEWOADQYEIWRHA-UHFFFAOYSA-N
XLogP1.52
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
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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Related Compounds

5-hydroxy-4-methylpentanimidamide
CID 91614670
3-(2-butoxyethoxy)butanimidamide
CID 114995138
5-methyloctanimidamide
CID 54213893
2,2-dimethyl-5-pentan-2-yloxypentanimidamide
CID 102982171
2-butan-2-yloxyethanimidamide
CID 60902733
ethyl 5-amino-2-carbamimidoyl-5-iminopentanoate
CID 141469692
4,4-diiodobutanimidamide
CID 57304657
(4R)-4-propoxypentan-1-ol
CID 54320299
4-(3-methylbutoxy)butanimidamide
CID 24706267
3-methyl-4-propoxybutanimidamide
CID 158121908
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
3-(3-methoxypropoxy)butanimidamide
CID 114995283

Frequently Asked Questions

What is the IUPAC name of 4-propoxypentanimidamide?
The IUPAC name of 4-propoxypentanimidamide (CID 158121909) is 4-propoxypentanimidamide.
What is the SMILES notation for 4-propoxypentanimidamide?
The canonical SMILES for 4-propoxypentanimidamide is [H]/N=C(\N)CCC(C)OCCC.
What is the InChIKey of 4-propoxypentanimidamide?
The InChIKey is VEWOADQYEIWRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-6-11-7(2)4-5-8(9)10/h7H,3-6H2,1-2H3,(H3,9,10).
What are the key properties of 4-propoxypentanimidamide?
4-propoxypentanimidamide has a molecular weight of 158.25 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxypentanimidamide is sourced from PubChem (CID 158121909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).