N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride

C14H28Cl2N4O — CID 126964926

IUPACN-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCCC(C)n1nccc1CNCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C14H26N4O.2ClH/c1-3-13(2)18-14(4-5-16-18)12-15-6-7-17-8-10-19-11-9-17;;/h4-5,13,15H,3,6-12H2,1-2H3;2*1H
InChIKeyFSKRLVSXBSYUMS-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.12
Rot. Bonds7

About N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride

N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride (PubChem CID 126964926) has the molecular formula C14H28Cl2N4O and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
PubChem CID126964926
Molecular FormulaC14H28Cl2N4O
Molecular Weight339.31 g/mol
Exact Mass338.16
IUPAC NameN-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCCC(C)n1nccc1CNCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C14H26N4O.2ClH/c1-3-13(2)18-14(4-5-16-18)12-15-6-7-17-8-10-19-11-9-17;;/h4-5,13,15H,3,6-12H2,1-2H3;2*1H
InChIKeyFSKRLVSXBSYUMS-UHFFFAOYSA-N
XLogP2.12
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride
CID 126967833
3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 122166014
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126964517
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 124932333
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126965875
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647
2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
CID 2995241
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967024
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 124932051
N-[(2-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine;hydrochloride
CID 126967489
2-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489808

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The IUPAC name of N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride (CID 126964926) is N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride.
What is the SMILES notation for N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The canonical SMILES for N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride is CCC(C)n1nccc1CNCCN1CCOCC1.Cl.Cl.
What is the InChIKey of N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The InChIKey is FSKRLVSXBSYUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.2ClH/c1-3-13(2)18-14(4-5-16-18)12-15-6-7-17-8-10-19-11-9-17;;/h4-5,13,15H,3,6-12H2,1-2H3;2*1H.
What are the key properties of N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride has a molecular weight of 339.31 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride is sourced from PubChem (CID 126964926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).