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

C23H30N2 — CID 58020443

IUPACN-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESc1ccc2c3c([nH]c2c1)C(NCC12CC4CC(CC(C4)C1)C2)CCC3
InChIInChI=1S/C23H30N2/c1-2-6-20-18(4-1)19-5-3-7-21(22(19)25-20)24-14-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-2,4,6,15-17,21,24-25H,3,5,7-14H2
InChIKeyXXJBJLQVQIVVMV-UHFFFAOYSA-N
MW334.51 g/mol
LogP5.35
Rot. Bonds3

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

N-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 58020443) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID58020443
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC NameN-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESc1ccc2c3c([nH]c2c1)C(NCC12CC4CC(CC(C4)C1)C2)CCC3
InChIInChI=1S/C23H30N2/c1-2-6-20-18(4-1)19-5-3-7-21(22(19)25-20)24-14-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-2,4,6,15-17,21,24-25H,3,5,7-14H2
InChIKeyXXJBJLQVQIVVMV-UHFFFAOYSA-N
XLogP5.35
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 55.35
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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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 58020443) is N-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is c1ccc2c3c([nH]c2c1)C(NCC12CC4CC(CC(C4)C1)C2)CCC3.
What is the InChIKey of N-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is XXJBJLQVQIVVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2/c1-2-6-20-18(4-1)19-5-3-7-21(22(19)25-20)24-14-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-2,4,6,15-17,21,24-25H,3,5,7-14H2.
What are the key properties of N-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 334.51 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 58020443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).