N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline

C19H31N3O — CID 59231299

IUPACN-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline
SMILESCC1CN(c2ccc(NCC3CCC(N)CC3)cc2)CC(C)O1
InChIInChI=1S/C19H31N3O/c1-14-12-22(13-15(2)23-14)19-9-7-18(8-10-19)21-11-16-3-5-17(20)6-4-16/h7-10,14-17,21H,3-6,11-13,20H2,1-2H3
InChIKeyYJBQFUFENJUVCN-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.23
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline

N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline (PubChem CID 59231299) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline
PubChem CID59231299
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline
SMILESCC1CN(c2ccc(NCC3CCC(N)CC3)cc2)CC(C)O1
InChIInChI=1S/C19H31N3O/c1-14-12-22(13-15(2)23-14)19-9-7-18(8-10-19)21-11-16-3-5-17(20)6-4-16/h7-10,14-17,21H,3-6,11-13,20H2,1-2H3
InChIKeyYJBQFUFENJUVCN-UHFFFAOYSA-N
XLogP3.23
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline (CID 59231299) is N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline is CC1CN(c2ccc(NCC3CCC(N)CC3)cc2)CC(C)O1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline?
The InChIKey is YJBQFUFENJUVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-14-12-22(13-15(2)23-14)19-9-7-18(8-10-19)21-11-16-3-5-17(20)6-4-16/h7-10,14-17,21H,3-6,11-13,20H2,1-2H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline?
N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline has a molecular weight of 317.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline is sourced from PubChem (CID 59231299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).