N-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine

C17H20N2O — CID 117424797

IUPACN-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine
SMILESCONCc1ccc2c(c1)c1ccccc1n2C(C)C
InChIInChI=1S/C17H20N2O/c1-12(2)19-16-7-5-4-6-14(16)15-10-13(11-18-20-3)8-9-17(15)19/h4-10,12,18H,11H2,1-3H3
InChIKeyRSDPXIXQZPYWIS-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.03
Rot. Bonds4

About N-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine

N-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine (PubChem CID 117424797) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine
PubChem CID117424797
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine
SMILESCONCc1ccc2c(c1)c1ccccc1n2C(C)C
InChIInChI=1S/C17H20N2O/c1-12(2)19-16-7-5-4-6-14(16)15-10-13(11-18-20-3)8-9-17(15)19/h4-10,12,18H,11H2,1-3H3
InChIKeyRSDPXIXQZPYWIS-UHFFFAOYSA-N
XLogP4.03
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine?
The IUPAC name of N-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine (CID 117424797) is N-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine.
What is the SMILES notation for N-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine?
The canonical SMILES for N-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine is CONCc1ccc2c(c1)c1ccccc1n2C(C)C.
What is the InChIKey of N-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine?
The InChIKey is RSDPXIXQZPYWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(2)19-16-7-5-4-6-14(16)15-10-13(11-18-20-3)8-9-17(15)19/h4-10,12,18H,11H2,1-3H3.
What are the key properties of N-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine?
N-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine has a molecular weight of 268.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(9-propan-2-ylcarbazol-3-yl)methanamine is sourced from PubChem (CID 117424797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).