7-hydroxyheptanimidamide;hydrochloride

C7H17ClN2O — CID 158249360

IUPAC7-hydroxyheptanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCCCCCO
InChIInChI=1S/C7H16N2O.ClH/c8-7(9)5-3-1-2-4-6-10;/h10H,1-6H2,(H3,8,9);1H
InChIKeyNDDFKXRNCNTYBW-UHFFFAOYSA-N
MW180.68 g/mol
LogP1.29
Rot. Bonds6

About 7-hydroxyheptanimidamide;hydrochloride

7-hydroxyheptanimidamide;hydrochloride (PubChem CID 158249360) has the molecular formula C7H17ClN2O and a molecular weight of 180.68 g/mol. Its IUPAC name is 7-hydroxyheptanimidamide;hydrochloride.

Molecular Properties

Compound Name7-hydroxyheptanimidamide;hydrochloride
PubChem CID158249360
Molecular FormulaC7H17ClN2O
Molecular Weight180.68 g/mol
Exact Mass180.10
IUPAC Name7-hydroxyheptanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCCCCCO
InChIInChI=1S/C7H16N2O.ClH/c8-7(9)5-3-1-2-4-6-10;/h10H,1-6H2,(H3,8,9);1H
InChIKeyNDDFKXRNCNTYBW-UHFFFAOYSA-N
XLogP1.29
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

octadecanediimidamide;dihydrochloride
CID 24741615
3-hydroxypropanimidamide;hydrochloride
CID 22004099
5-(3-hydroxypropylsulfanyl)pentanimidamide
CID 66113429
butanediimidamide;dihydrochloride
CID 88614640
8-amino-8-iminooctanoic acid
CID 139654610
(1,6-diamino-6-iminohexylidene)azanium
CID 156621618
hept-6-ynimidamide
CID 13205709
formic acid;octadecanimidamide
CID 160757976
2,2-dihydroxydecanediimidamide
CID 87574003
2-[5-hydroxypentyl(methyl)amino]ethanimidamide
CID 107200220
5,5-dihydroxypentanimidamide
CID 87612742
6-hydroxyhexanamide
CID 11815390

Frequently Asked Questions

What is the IUPAC name of 7-hydroxyheptanimidamide;hydrochloride?
The IUPAC name of 7-hydroxyheptanimidamide;hydrochloride (CID 158249360) is 7-hydroxyheptanimidamide;hydrochloride.
What is the SMILES notation for 7-hydroxyheptanimidamide;hydrochloride?
The canonical SMILES for 7-hydroxyheptanimidamide;hydrochloride is Cl.[H]/N=C(\N)CCCCCCO.
What is the InChIKey of 7-hydroxyheptanimidamide;hydrochloride?
The InChIKey is NDDFKXRNCNTYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.ClH/c8-7(9)5-3-1-2-4-6-10;/h10H,1-6H2,(H3,8,9);1H.
What are the key properties of 7-hydroxyheptanimidamide;hydrochloride?
7-hydroxyheptanimidamide;hydrochloride has a molecular weight of 180.68 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxyheptanimidamide;hydrochloride is sourced from PubChem (CID 158249360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).