N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine

C24H42N4O — CID 155740059

IUPACN-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine
SMILESCCN1CCN(c2ccc(CNC[C@@H]3CN(CCCC(C)C)CCO3)cc2)CC1
InChIInChI=1S/C24H42N4O/c1-4-26-12-14-28(15-13-26)23-9-7-22(8-10-23)18-25-19-24-20-27(16-17-29-24)11-5-6-21(2)3/h7-10,21,24-25H,4-6,11-20H2,1-3H3/t24-/m1/s1
InChIKeyIBOOMPLNFKZUPS-XMMPIXPASA-N
MW402.63 g/mol
LogP3.06
Rot. Bonds10

About N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine

N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine (PubChem CID 155740059) has the molecular formula C24H42N4O and a molecular weight of 402.63 g/mol. Its IUPAC name is N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine
PubChem CID155740059
Molecular FormulaC24H42N4O
Molecular Weight402.63 g/mol
Exact Mass402.34
IUPAC NameN-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine
SMILESCCN1CCN(c2ccc(CNC[C@@H]3CN(CCCC(C)C)CCO3)cc2)CC1
InChIInChI=1S/C24H42N4O/c1-4-26-12-14-28(15-13-26)23-9-7-22(8-10-23)18-25-19-24-20-27(16-17-29-24)11-5-6-21(2)3/h7-10,21,24-25H,4-6,11-20H2,1-3H3/t24-/m1/s1
InChIKeyIBOOMPLNFKZUPS-XMMPIXPASA-N
XLogP3.06
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.63
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylmorpholin-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]methanamine
CID 115653577
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63059986
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
N-[4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]phenyl]acetamide
CID 115616524
1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine
CID 78946835
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
1-(4-ethylmorpholin-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
CID 115616594
1-(4-ethylmorpholin-2-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
CID 115756743
1-[(2R)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328397
N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide
CID 9268036
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43281242
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine?
The IUPAC name of N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine (CID 155740059) is N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine.
What is the SMILES notation for N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine?
The canonical SMILES for N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine is CCN1CCN(c2ccc(CNC[C@@H]3CN(CCCC(C)C)CCO3)cc2)CC1.
What is the InChIKey of N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine?
The InChIKey is IBOOMPLNFKZUPS-XMMPIXPASA-N. The full InChI is InChI=1S/C24H42N4O/c1-4-26-12-14-28(15-13-26)23-9-7-22(8-10-23)18-25-19-24-20-27(16-17-29-24)11-5-6-21(2)3/h7-10,21,24-25H,4-6,11-20H2,1-3H3/t24-/m1/s1.
What are the key properties of N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine?
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine has a molecular weight of 402.63 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]-1-[(2R)-4-(4-methylpentyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 155740059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).