N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline

C18H30N2O — CID 63464881

IUPACN-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)C2(CN)CCC(C(C)C)CC2)cc1
InChIInChI=1S/C18H30N2O/c1-14(2)15-9-11-18(13-19,12-10-15)20(3)16-5-7-17(21-4)8-6-16/h5-8,14-15H,9-13,19H2,1-4H3
InChIKeyDCDAIZYBOJLZNX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.68
Rot. Bonds5

About N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline

N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline (PubChem CID 63464881) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline
PubChem CID63464881
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)C2(CN)CCC(C(C)C)CC2)cc1
InChIInChI=1S/C18H30N2O/c1-14(2)15-9-11-18(13-19,12-10-15)20(3)16-5-7-17(21-4)8-6-16/h5-8,14-15H,9-13,19H2,1-4H3
InChIKeyDCDAIZYBOJLZNX-UHFFFAOYSA-N
XLogP3.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline (CID 63464881) is N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline is COc1ccc(N(C)C2(CN)CCC(C(C)C)CC2)cc1.
What is the InChIKey of N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline?
The InChIKey is DCDAIZYBOJLZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)15-9-11-18(13-19,12-10-15)20(3)16-5-7-17(21-4)8-6-16/h5-8,14-15H,9-13,19H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline?
N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline has a molecular weight of 290.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4-methoxy-N-methylaniline is sourced from PubChem (CID 63464881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).