3-iminoheptanimidamide

C7H15N3 — CID 158715697

IUPAC3-iminoheptanimidamide
SMILES[H]/N=C(\N)C/C(CCCC)=N/[H]
InChIInChI=1S/C7H15N3/c1-2-3-4-6(8)5-7(9)10/h8H,2-5H2,1H3,(H3,9,10)/b8-6+
InChIKeyPHADQKMEFAZEHM-SOFGYWHQSA-N
MW141.22 g/mol
LogP1.52
Rot. Bonds5

About 3-iminoheptanimidamide

3-iminoheptanimidamide (PubChem CID 158715697) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 3-iminoheptanimidamide.

Molecular Properties

Compound Name3-iminoheptanimidamide
PubChem CID158715697
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name3-iminoheptanimidamide
SMILES[H]/N=C(\N)C/C(CCCC)=N/[H]
InChIInChI=1S/C7H15N3/c1-2-3-4-6(8)5-7(9)10/h8H,2-5H2,1H3,(H3,9,10)/b8-6+
InChIKeyPHADQKMEFAZEHM-SOFGYWHQSA-N
XLogP1.52
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.52
H-Bond Donors ≤ 53
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

butyl 3-iminoheptanoate
CID 56992014
2-(butylamino)ethanimidamide
CID 126615338
3-[2-(2-butoxyethoxy)ethoxy]propanimidamide
CID 104563635
3-[butyl(methyl)amino]propanimidamide
CID 24696065
formic acid;octadecanimidamide
CID 160757976
2-iminotetradecane-1-thiol
CID 167079244
3-iminododecan-1-ol
CID 57239624
5-iminoheptanamide
CID 123928104
4-[methyl(pentyl)amino]butanimidamide
CID 43294979
4-hexoxybutanimidamide
CID 29003057
N'-diazenylpentanimidamide
CID 143625651
2-butylsulfanylethanimidamide
CID 43615832

Frequently Asked Questions

What is the IUPAC name of 3-iminoheptanimidamide?
The IUPAC name of 3-iminoheptanimidamide (CID 158715697) is 3-iminoheptanimidamide.
What is the SMILES notation for 3-iminoheptanimidamide?
The canonical SMILES for 3-iminoheptanimidamide is [H]/N=C(\N)C/C(CCCC)=N/[H].
What is the InChIKey of 3-iminoheptanimidamide?
The InChIKey is PHADQKMEFAZEHM-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H15N3/c1-2-3-4-6(8)5-7(9)10/h8H,2-5H2,1H3,(H3,9,10)/b8-6+.
What are the key properties of 3-iminoheptanimidamide?
3-iminoheptanimidamide has a molecular weight of 141.22 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminoheptanimidamide is sourced from PubChem (CID 158715697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).