[4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride

C18H30Cl2N2O — CID 171149663

IUPAC[4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride
SMILESCC(C)CC=C(CN1CCOC(CN)C1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H28N2O.2ClH/c1-15(2)8-9-17(16-6-4-3-5-7-16)13-20-10-11-21-18(12-19)14-20;;/h3-7,9,15,18H,8,10-14,19H2,1-2H3;2*1H
InChIKeyNZIFYKJHXUHJBC-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.62
Rot. Bonds6

About [4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride

[4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride (PubChem CID 171149663) has the molecular formula C18H30Cl2N2O and a molecular weight of 361.36 g/mol. Its IUPAC name is [4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride
PubChem CID171149663
Molecular FormulaC18H30Cl2N2O
Molecular Weight361.36 g/mol
Exact Mass360.17
IUPAC Name[4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride
SMILESCC(C)CC=C(CN1CCOC(CN)C1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H28N2O.2ClH/c1-15(2)8-9-17(16-6-4-3-5-7-16)13-20-10-11-21-18(12-19)14-20;;/h3-7,9,15,18H,8,10-14,19H2,1-2H3;2*1H
InChIKeyNZIFYKJHXUHJBC-UHFFFAOYSA-N
XLogP3.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4-[(Z)-5-methyl-2-phenylhex-2-enyl]morpholin-2-yl]methanamine
CID 126446733
[4-(2-phenylprop-2-enyl)morpholin-2-yl]methanamine
CID 114399002
2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
2-[2-(aminomethyl)morpholin-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 61337607
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 114394898
3-[2-(aminomethyl)morpholin-4-yl]-2-methylpropanamide
CID 61336630
[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine
CID 61338959
[4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398613
2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 114395074
1-[2-(aminomethyl)morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 114398972
2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide
CID 114394940

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride?
The IUPAC name of [4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride (CID 171149663) is [4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride is CC(C)CC=C(CN1CCOC(CN)C1)c1ccccc1.Cl.Cl.
What is the InChIKey of [4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride?
The InChIKey is NZIFYKJHXUHJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.2ClH/c1-15(2)8-9-17(16-6-4-3-5-7-16)13-20-10-11-21-18(12-19)14-20;;/h3-7,9,15,18H,8,10-14,19H2,1-2H3;2*1H.
What are the key properties of [4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride?
[4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride has a molecular weight of 361.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-2-phenylhex-2-enyl)morpholin-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 171149663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).