3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide

C10H19N3O — CID 77030678

IUPAC3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide
SMILESNC(CCNCC1CC=CCC1)=NO
InChIInChI=1S/C10H19N3O/c11-10(13-14)6-7-12-8-9-4-2-1-3-5-9/h1-2,9,12,14H,3-8H2,(H2,11,13)
InChIKeyJOGXBBHBABFBGR-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.07
Rot. Bonds5

About 3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide

3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide (PubChem CID 77030678) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide
PubChem CID77030678
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide
SMILESNC(CCNCC1CC=CCC1)=NO
InChIInChI=1S/C10H19N3O/c11-10(13-14)6-7-12-8-9-4-2-1-3-5-9/h1-2,9,12,14H,3-8H2,(H2,11,13)
InChIKeyJOGXBBHBABFBGR-UHFFFAOYSA-N
XLogP1.07
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062652
3-(cyclohexylmethylamino)-N'-hydroxypropanimidamide
CID 77028587
2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate
CID 83211813
N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide
CID 107296459
N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 43180683
6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol
CID 115908967
N-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylmethanamine
CID 43215811
4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide
CID 79394924
N-[2-(cyclohex-3-en-1-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115572796
5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol
CID 107267824
N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine
CID 43081150
N-(cyclohex-3-en-1-ylmethyl)-2-(cyclopenten-1-yl)ethanamine
CID 115762884

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide (CID 77030678) is 3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide is NC(CCNCC1CC=CCC1)=NO.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide?
The InChIKey is JOGXBBHBABFBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c11-10(13-14)6-7-12-8-9-4-2-1-3-5-9/h1-2,9,12,14H,3-8H2,(H2,11,13).
What are the key properties of 3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide?
3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide has a molecular weight of 197.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77030678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).