N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C17H24N2 — CID 65334003

IUPACN-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(C)(C)CNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H24N2/c1-17(2,3)11-18-15-10-6-8-13-12-7-4-5-9-14(12)19-16(13)15/h4-5,7,9,15,18-19H,6,8,10-11H2,1-3H3
InChIKeyBAEBLMWSUMIHSH-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.18
Rot. Bonds2

About N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 65334003) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID65334003
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(C)(C)CNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H24N2/c1-17(2,3)11-18-15-10-6-8-13-12-7-4-5-9-14(12)19-16(13)15/h4-5,7,9,15,18-19H,6,8,10-11H2,1-3H3
InChIKeyBAEBLMWSUMIHSH-UHFFFAOYSA-N
XLogP4.18
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol
CID 66168801
N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334146
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine
CID 65334049
N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333957
N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 107416848
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
CID 65333695
N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65333850
N'-ethyl-N'-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334005
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592
2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol
CID 114756055
N-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 58020443

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 65334003) is N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CC(C)(C)CNC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is BAEBLMWSUMIHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-17(2,3)11-18-15-10-6-8-13-12-7-4-5-9-14(12)19-16(13)15/h4-5,7,9,15,18-19H,6,8,10-11H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 256.39 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 65334003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).