12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine

C26H40N4 — CID 91002845

IUPAC12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine
SMILESCCCCCCCCCCCCN1C2=CC3C=CC=CC3CC2NC2CN=CN=C21
InChIInChI=1S/C26H40N4/c1-2-3-4-5-6-7-8-9-10-13-16-30-25-18-22-15-12-11-14-21(22)17-23(25)29-24-19-27-20-28-26(24)30/h11-12,14-15,18,20-24,29H,2-10,13,16-17,19H2,1H3
InChIKeyUTHFNKNBQOLQKQ-UHFFFAOYSA-N
MW408.63 g/mol
LogP5.64
Rot. Bonds11

About 12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine

12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine (PubChem CID 91002845) has the molecular formula C26H40N4 and a molecular weight of 408.63 g/mol. Its IUPAC name is 12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine.

Molecular Properties

Compound Name12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine
PubChem CID91002845
Molecular FormulaC26H40N4
Molecular Weight408.63 g/mol
Exact Mass408.33
IUPAC Name12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine
SMILESCCCCCCCCCCCCN1C2=CC3C=CC=CC3CC2NC2CN=CN=C21
InChIInChI=1S/C26H40N4/c1-2-3-4-5-6-7-8-9-10-13-16-30-25-18-22-15-12-11-14-21(22)17-23(25)29-24-19-27-20-28-26(24)30/h11-12,14-15,18,20-24,29H,2-10,13,16-17,19H2,1H3
InChIKeyUTHFNKNBQOLQKQ-UHFFFAOYSA-N
XLogP5.64
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-spiro[5,6a-dihydro-1H-benzo[h]quinazoline-6,4'-piperidine]-2-ylpropane-1,3-diamine
CID 87438544
12-dodecyl-3,4,5a,6,6a,10a-hexahydro-2H-naphtho[2,3-g]pteridine
CID 123591787
1-cyclobutyl-N-[[3-(2,6-dimethylidenepiperidin-3-yl)-2-methyl-4-methylidene-5,6-dihydroquinazolin-5-yl]methyl]ethenamine
CID 132064841
2-(1,2,3,6-tetrahydropyridin-3-yl)-3a,4,6a,9b-tetrahydro-1H-perimidine
CID 143088257
3-[1-(Ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine
CID 143280824
(3Z,5E)-6-(5-butan-2-yl-4-piperazin-1-yl-8H-pyrimido[4,5-d]azepin-2-yl)-7-methyl-2,7,8,9,10,11-hexahydro-1H-1,3-benzodiazonine;ethane
CID 144599709
ethane;(E)-[(5Z)-5-(3-ethylpentan-2-ylidene)-2-(8-methyl-2,9-diazabicyclo[4.3.1]deca-1(9),3,5-trien-5-yl)-6-piperazin-1-ylpyrimidin-4-ylidene]methanamine
CID 144885027
[3-Methyl-6-[1-[1-[2-(2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]piperidin-4-yl]ethyl]cyclohexa-2,4-dien-1-yl]methanamine
CID 146642191
N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine
CID 147405016
4-heptan-4-yl-2-(C-piperazin-1-yl-N-prop-1-en-2-ylcarbonimidoyl)cyclopenta-1,4-dien-1-amine
CID 166164453
6-[2-tert-butyl-4-(6-methyl-3,4-dihydropyridin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]-1,4,6,7-tetrahydroquinoxaline
CID 173381875
N-[4a-methyl-2-[[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]methyl]-5H-quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 176523795

Frequently Asked Questions

What is the IUPAC name of 12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine?
The IUPAC name of 12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine (CID 91002845) is 12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine.
What is the SMILES notation for 12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine?
The canonical SMILES for 12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine is CCCCCCCCCCCCN1C2=CC3C=CC=CC3CC2NC2CN=CN=C21.
What is the InChIKey of 12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine?
The InChIKey is UTHFNKNBQOLQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4/c1-2-3-4-5-6-7-8-9-10-13-16-30-25-18-22-15-12-11-14-21(22)17-23(25)29-24-19-27-20-28-26(24)30/h11-12,14-15,18,20-24,29H,2-10,13,16-17,19H2,1H3.
What are the key properties of 12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine?
12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine has a molecular weight of 408.63 g/mol, XLogP of 5.64, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine is sourced from PubChem (CID 91002845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).