N-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide

C9H19N5O — CID 83032116

IUPACN-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCCC(OCC)C1
InChIInChI=1S/C9H19N5O/c1-2-15-7-4-3-5-14(6-7)9(12)13-8(10)11/h7H,2-6H2,1H3,(H5,10,11,12,13)
InChIKeyCZMQEAPZHJHSMB-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.30
Rot. Bonds2

About N-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide

N-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide (PubChem CID 83032116) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide
PubChem CID83032116
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC NameN-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCCC(OCC)C1
InChIInChI=1S/C9H19N5O/c1-2-15-7-4-3-5-14(6-7)9(12)13-8(10)11/h7H,2-6H2,1H3,(H5,10,11,12,13)
InChIKeyCZMQEAPZHJHSMB-UHFFFAOYSA-N
XLogP-0.30
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.30
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

3-Methoxypiperidine-1-carboximidamide
CID 19089238
N',2,6-trimethylmorpholine-4-carboximidamide
CID 62358592
2-(2,2-Dimethylpropyl)morpholine-4-carboximidamide
CID 67629081
N'-(piperidine-1-carboximidoyl)morpholine-4-carboximidamide
CID 159728396
N-[amino(piperidin-1-yl)methylidene]morpholine-4-carboximidamide
CID 161993884
3-Methoxypiperidin-1-ium-1-carboximidamide
CID 173337130
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide;hydrochloride
CID 46214701
N-(diaminomethylidene)-2-pentan-3-ylmorpholine-4-carboximidamide
CID 46214702
N'-tert-butyl-3-propoxypiperidine-1-carboximidamide
CID 55063809
N'-cyclopentyl-3-propoxypiperidine-1-carboximidamide
CID 55063963
N'-cyclohexyl-3-ethoxypiperidine-1-carboximidamide
CID 55064006
3-Propoxypiperidine-1-carboximidamide
CID 61573275

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide (CID 83032116) is N-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCCC(OCC)C1.
What is the InChIKey of N-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide?
The InChIKey is CZMQEAPZHJHSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-2-15-7-4-3-5-14(6-7)9(12)13-8(10)11/h7H,2-6H2,1H3,(H5,10,11,12,13).
What are the key properties of N-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide?
N-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide has a molecular weight of 213.28 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-ethoxypiperidine-1-carboximidamide is sourced from PubChem (CID 83032116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).