N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C19H28N2 — CID 65333391

IUPACN-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCCCCC(C)NC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C19H28N2/c1-3-4-5-9-14(2)20-18-13-8-11-16-15-10-6-7-12-17(15)21-19(16)18/h6-7,10,12,14,18,20-21H,3-5,8-9,11,13H2,1-2H3
InChIKeyXCMMTVUSSLILDZ-UHFFFAOYSA-N
MW284.45 g/mol
LogP5.10
Rot. Bonds6

About N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 65333391) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID65333391
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCCCCC(C)NC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C19H28N2/c1-3-4-5-9-14(2)20-18-13-8-11-16-15-10-6-7-12-17(15)21-19(16)18/h6-7,10,12,14,18,20-21H,3-5,8-9,11,13H2,1-2H3
InChIKeyXCMMTVUSSLILDZ-UHFFFAOYSA-N
XLogP5.10
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine 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

N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333957
N-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333809
N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 154807938
N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65334003
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine
CID 65334049
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592
N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65333850
N-nonan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 43129999
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334146
N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43094167
N'-ethyl-N'-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334005

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 65333391) is N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CCCCCC(C)NC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is XCMMTVUSSLILDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-3-4-5-9-14(2)20-18-13-8-11-16-15-10-6-7-12-17(15)21-19(16)18/h6-7,10,12,14,18,20-21H,3-5,8-9,11,13H2,1-2H3.
What are the key properties of N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 284.45 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 65333391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).