N-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine

C26H38N2O2 — CID 11774238

IUPACN-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine
SMILESCCCCCCCc1c(C)c(NC(C)(C)C)c(OCOC)c2c1[nH]c1ccccc12
InChIInChI=1S/C26H38N2O2/c1-7-8-9-10-11-14-19-18(2)23(28-26(3,4)5)25(30-17-29-6)22-20-15-12-13-16-21(20)27-24(19)22/h12-13,15-16,27-28H,7-11,14,17H2,1-6H3
InChIKeyIPELKOVSSNGYSL-UHFFFAOYSA-N
MW410.60 g/mol
LogP7.34
Rot. Bonds10

About N-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine

N-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine (PubChem CID 11774238) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is N-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine
PubChem CID11774238
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC NameN-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine
SMILESCCCCCCCc1c(C)c(NC(C)(C)C)c(OCOC)c2c1[nH]c1ccccc12
InChIInChI=1S/C26H38N2O2/c1-7-8-9-10-11-14-19-18(2)23(28-26(3,4)5)25(30-17-29-6)22-20-15-12-13-16-21(20)27-24(19)22/h12-13,15-16,27-28H,7-11,14,17H2,1-6H3
InChIKeyIPELKOVSSNGYSL-UHFFFAOYSA-N
XLogP7.34
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine?
The IUPAC name of N-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine (CID 11774238) is N-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine.
What is the SMILES notation for N-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine?
The canonical SMILES for N-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine is CCCCCCCc1c(C)c(NC(C)(C)C)c(OCOC)c2c1[nH]c1ccccc12.
What is the InChIKey of N-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine?
The InChIKey is IPELKOVSSNGYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-7-8-9-10-11-14-19-18(2)23(28-26(3,4)5)25(30-17-29-6)22-20-15-12-13-16-21(20)27-24(19)22/h12-13,15-16,27-28H,7-11,14,17H2,1-6H3.
What are the key properties of N-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine?
N-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine has a molecular weight of 410.60 g/mol, XLogP of 7.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-heptyl-4-(methoxymethoxy)-2-methyl-9H-carbazol-3-amine is sourced from PubChem (CID 11774238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).