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

C18H26N2 — CID 65333957

IUPACN-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(C)CCCNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C18H26N2/c1-13(2)7-6-12-19-17-11-5-9-15-14-8-3-4-10-16(14)20-18(15)17/h3-4,8,10,13,17,19-20H,5-7,9,11-12H2,1-2H3
InChIKeyMDWLBDQPKRFULR-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.57
Rot. Bonds5

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

N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 65333957) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID65333957
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(C)CCCNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C18H26N2/c1-13(2)7-6-12-19-17-11-5-9-15-14-8-3-4-10-16(14)20-18(15)17/h3-4,8,10,13,17,19-20H,5-7,9,11-12H2,1-2H3
InChIKeyMDWLBDQPKRFULR-UHFFFAOYSA-N
XLogP4.57
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.57
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'}

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Related Compounds

N',N'-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propane-1,3-diamine
CID 65334049
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'-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-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65334003
N-heptan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333391
N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 176892760
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
2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol
CID 66168801
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 65333957) is N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CC(C)CCCNC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is MDWLBDQPKRFULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-13(2)7-6-12-19-17-11-5-9-15-14-8-3-4-10-16(14)20-18(15)17/h3-4,8,10,13,17,19-20H,5-7,9,11-12H2,1-2H3.
What are the key properties of N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 65333957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).