1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride

C19H33ClN4O — CID 75268971

IUPAC1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride
SMILESCC(C)(C)C1NNCC1CNCc1ccc(N2CCOCC2)cc1.Cl
InChIInChI=1S/C19H32N4O.ClH/c1-19(2,3)18-16(14-21-22-18)13-20-12-15-4-6-17(7-5-15)23-8-10-24-11-9-23;/h4-7,16,18,20-22H,8-14H2,1-3H3;1H
InChIKeySBEOGOPOYXWSPF-UHFFFAOYSA-N
MW368.95 g/mol
LogP2.17
Rot. Bonds5

About 1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride

1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride (PubChem CID 75268971) has the molecular formula C19H33ClN4O and a molecular weight of 368.95 g/mol. Its IUPAC name is 1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride
PubChem CID75268971
Molecular FormulaC19H33ClN4O
Molecular Weight368.95 g/mol
Exact Mass368.23
IUPAC Name1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride
SMILESCC(C)(C)C1NNCC1CNCc1ccc(N2CCOCC2)cc1.Cl
InChIInChI=1S/C19H32N4O.ClH/c1-19(2,3)18-16(14-21-22-18)13-20-12-15-4-6-17(7-5-15)23-8-10-24-11-9-23;/h4-7,16,18,20-22H,8-14H2,1-3H3;1H
InChIKeySBEOGOPOYXWSPF-UHFFFAOYSA-N
XLogP2.17
TPSA48.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 52.17
H-Bond Donors ≤ 53
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'}

Analyze 1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine
CID 52989806
3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol
CID 103708001
N-[(4-morpholin-4-ylphenyl)methyl]but-2-yn-1-amine
CID 113342036
2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 115690242
(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine
CID 115629182
3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111422027
N-[[4-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62974165
1-methyl-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutan-1-amine
CID 115765831
2-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanenitrile
CID 55101596
4-(4-ethylphenyl)morpholine
CID 20576442
1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440525
4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine
CID 115758040

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride (CID 75268971) is 1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride is CC(C)(C)C1NNCC1CNCc1ccc(N2CCOCC2)cc1.Cl.
What is the InChIKey of 1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride?
The InChIKey is SBEOGOPOYXWSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.ClH/c1-19(2,3)18-16(14-21-22-18)13-20-12-15-4-6-17(7-5-15)23-8-10-24-11-9-23;/h4-7,16,18,20-22H,8-14H2,1-3H3;1H.
What are the key properties of 1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride?
1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylpyrazolidin-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 75268971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).