4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide

C11H19N3 — CID 123620499

IUPAC4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C(N(CC)CC)CC1
InChIInChI=1S/C11H19N3/c1-3-14(4-2)10-7-5-9(6-8-10)11(12)13/h5,7H,3-4,6,8H2,1-2H3,(H3,12,13)
InChIKeyRKRGTZTTWDUFOJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.87
Rot. Bonds4

About 4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide

4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide (PubChem CID 123620499) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide.

Molecular Properties

Compound Name4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide
PubChem CID123620499
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CC=C(N(CC)CC)CC1
InChIInChI=1S/C11H19N3/c1-3-14(4-2)10-7-5-9(6-8-10)11(12)13/h5,7H,3-4,6,8H2,1-2H3,(H3,12,13)
InChIKeyRKRGTZTTWDUFOJ-UHFFFAOYSA-N
XLogP1.87
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.87
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

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CID 168201716
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CID 123285812
3-(3-Methylidenehex-4-en-2-ylidene)-4-pentylpyrazin-2-amine
CID 123349378
4-(Ethylamino)cyclohexa-1,3-diene-1-carboximidamide
CID 137002113
[1-Amino-4-[4-(diisocyanomethylidene)-2,6-dimethyl-1-pyridinyl]butylidene]azanium
CID 137100730
(2Z,4Z)-2,4-dimethyl-1-piperidin-1-ylhexa-2,4-dien-1-imine
CID 144492340
N-methyl-N-[(1E,4Z)-4-methylcycloocta-1,4,7-trien-1-yl]pentanimidamide
CID 153556068
4-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-imino-4-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 163435351
1-But-1-en-2-yl-4-ethylpyridin-2-imine
CID 169252177
6-[3-(Dimethylamino)propanimidoyl]-5-methylcyclohexa-1,5-dien-1-amine
CID 169986459
[6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine
CID 170069853
[1-ethyl-6-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-pyridin-5-yl]methanimine
CID 170582300

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide?
The IUPAC name of 4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide (CID 123620499) is 4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide.
What is the SMILES notation for 4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide?
The canonical SMILES for 4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide is [H]/N=C(\N)C1=CC=C(N(CC)CC)CC1.
What is the InChIKey of 4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide?
The InChIKey is RKRGTZTTWDUFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-14(4-2)10-7-5-9(6-8-10)11(12)13/h5,7H,3-4,6,8H2,1-2H3,(H3,12,13).
What are the key properties of 4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide?
4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide has a molecular weight of 193.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)cyclohexa-1,3-diene-1-carboximidamide is sourced from PubChem (CID 123620499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).