N,N-diethyl-6-methylidenexanthen-3-amine

C18H19NO — CID 90961731

IUPACN,N-diethyl-6-methylidenexanthen-3-amine
SMILESC=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2
InChIInChI=1S/C18H19NO/c1-4-19(5-2)16-9-8-15-11-14-7-6-13(3)10-17(14)20-18(15)12-16/h6-12H,3-5H2,1-2H3
InChIKeyBWAAKKQNCROKKH-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.88
Rot. Bonds3

About N,N-diethyl-6-methylidenexanthen-3-amine

N,N-diethyl-6-methylidenexanthen-3-amine (PubChem CID 90961731) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N,N-diethyl-6-methylidenexanthen-3-amine.

Molecular Properties

Compound NameN,N-diethyl-6-methylidenexanthen-3-amine
PubChem CID90961731
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN,N-diethyl-6-methylidenexanthen-3-amine
SMILESC=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2
InChIInChI=1S/C18H19NO/c1-4-19(5-2)16-9-8-15-11-14-7-6-13(3)10-17(14)20-18(15)12-16/h6-12H,3-5H2,1-2H3
InChIKeyBWAAKKQNCROKKH-UHFFFAOYSA-N
XLogP2.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-6-methylidene-9-(4-methylphenyl)xanthen-3-amine
CID 146319603
N,N-diethyl-6-methylidene-9-pyridin-3-ylxanthen-3-amine
CID 146319584
N,N-diethyl-9-(2-fluoro-5-methylpyrimidin-4-yl)-6-methylidenexanthen-3-amine
CID 146319587
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
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N,N-diethyl-2H-chromen-7-amine
CID 10750672
3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide
CID 102485913
2-[3-(diethylamino)-6-methylidenexanthen-9-yl]-5-sulfinobenzenesulfonic acid
CID 130357980
N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine
CID 155535074
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
6-[3,6-bis(diethylamino)xanthen-9-ylidene]-4-(dimethylamino)cyclohexa-2,4-dien-1-one
CID 11669733
(E)-3-[7-(diethylamino)-2H-chromen-3-yl]prop-2-enoic acid
CID 16769201
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline
CID 66511663

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-methylidenexanthen-3-amine?
The IUPAC name of N,N-diethyl-6-methylidenexanthen-3-amine (CID 90961731) is N,N-diethyl-6-methylidenexanthen-3-amine.
What is the SMILES notation for N,N-diethyl-6-methylidenexanthen-3-amine?
The canonical SMILES for N,N-diethyl-6-methylidenexanthen-3-amine is C=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2.
What is the InChIKey of N,N-diethyl-6-methylidenexanthen-3-amine?
The InChIKey is BWAAKKQNCROKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-4-19(5-2)16-9-8-15-11-14-7-6-13(3)10-17(14)20-18(15)12-16/h6-12H,3-5H2,1-2H3.
What are the key properties of N,N-diethyl-6-methylidenexanthen-3-amine?
N,N-diethyl-6-methylidenexanthen-3-amine has a molecular weight of 265.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-methylidenexanthen-3-amine is sourced from PubChem (CID 90961731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).