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

C17H24N2O — CID 65333809

IUPACN-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCC(COC)NC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H24N2O/c1-3-12(11-20-2)18-16-10-6-8-14-13-7-4-5-9-15(13)19-17(14)16/h4-5,7,9,12,16,18-19H,3,6,8,10-11H2,1-2H3
InChIKeyUYUBCQBRMJFUFV-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.56
Rot. Bonds5

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

N-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 65333809) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID65333809
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCC(COC)NC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H24N2O/c1-3-12(11-20-2)18-16-10-6-8-14-13-7-4-5-9-15(13)19-17(14)16/h4-5,7,9,12,16,18-19H,3,6,8,10-11H2,1-2H3
InChIKeyUYUBCQBRMJFUFV-UHFFFAOYSA-N
XLogP3.56
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333391
N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
6-methyl-N-[1-(2-methylphenyl)butan-2-yl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 143326400
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
CID 65333695
N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65334003
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592
N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333957
N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65333850
N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334146
N'-ethyl-N'-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65334005
N-[1-(oxan-3-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 154807938

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 65333809) is N-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CCC(COC)NC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is UYUBCQBRMJFUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-12(11-20-2)18-16-10-6-8-14-13-7-4-5-9-15(13)19-17(14)16/h4-5,7,9,12,16,18-19H,3,6,8,10-11H2,1-2H3.
What are the key properties of N-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 65333809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).