N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride

C25H35ClN3O3- — CID 53346999

IUPACN-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride
SMILESCCN(CC)CCOc1ccc2c(c1)C(=NO)c1cc(OCCN(CC)CC)ccc1-2.[Cl-]
InChIInChI=1S/C25H35N3O3.ClH/c1-5-27(6-2)13-15-30-19-9-11-21-22-12-10-20(31-16-14-28(7-3)8-4)18-24(22)25(26-29)23(21)17-19;/h9-12,17-18,29H,5-8,13-16H2,1-4H3;1H/p-1
InChIKeyWVAMWZNUSLEVJU-UHFFFAOYSA-M
MW461.03 g/mol
LogP1.34
Rot. Bonds12

About N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride

N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride (PubChem CID 53346999) has the molecular formula C25H35ClN3O3- and a molecular weight of 461.03 g/mol. Its IUPAC name is N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride.

Molecular Properties

Compound NameN-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride
PubChem CID53346999
Molecular FormulaC25H35ClN3O3-
Molecular Weight461.03 g/mol
Exact Mass460.24
IUPAC NameN-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride
SMILESCCN(CC)CCOc1ccc2c(c1)C(=NO)c1cc(OCCN(CC)CC)ccc1-2.[Cl-]
InChIInChI=1S/C25H35N3O3.ClH/c1-5-27(6-2)13-15-30-19-9-11-21-22-12-10-20(31-16-14-28(7-3)8-4)18-24(22)25(26-29)23(21)17-19;/h9-12,17-18,29H,5-8,13-16H2,1-4H3;1H/p-1
InChIKeyWVAMWZNUSLEVJU-UHFFFAOYSA-M
XLogP1.34
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.03
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[2,7-bis[3-(diethylamino)propoxy]fluoren-9-ylidene]amino]urea
CID 3503046
4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide
CID 135965118
2-[6-[2-(diethylamino)ethoxy]acridin-3-yl]oxy-N,N-diethylethanamine;platinum(4+);tetrachloride
CID 173439217
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one
CID 19594761
7-[2-(diethylamino)ethoxy]-2,3-dihydrochromen-4-one
CID 141195372
N,N-diethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 10490742
3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine
CID 57439221
1-[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]ethanone
CID 24383
4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid
CID 69431703

Frequently Asked Questions

What is the IUPAC name of N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride?
The IUPAC name of N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride (CID 53346999) is N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride.
What is the SMILES notation for N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride?
The canonical SMILES for N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride is CCN(CC)CCOc1ccc2c(c1)C(=NO)c1cc(OCCN(CC)CC)ccc1-2.[Cl-].
What is the InChIKey of N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride?
The InChIKey is WVAMWZNUSLEVJU-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H35N3O3.ClH/c1-5-27(6-2)13-15-30-19-9-11-21-22-12-10-20(31-16-14-28(7-3)8-4)18-24(22)25(26-29)23(21)17-19;/h9-12,17-18,29H,5-8,13-16H2,1-4H3;1H/p-1.
What are the key properties of N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride?
N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride has a molecular weight of 461.03 g/mol, XLogP of 1.34, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,7-bis[2-(diethylamino)ethoxy]fluoren-9-ylidene]hydroxylamine chloride is sourced from PubChem (CID 53346999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).