3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine

C17H29N3O — CID 76873711

IUPAC3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
SMILESCC(C)COCCCNCC1CNNC1c1ccccc1
InChIInChI=1S/C17H29N3O/c1-14(2)13-21-10-6-9-18-11-16-12-19-20-17(16)15-7-4-3-5-8-15/h3-5,7-8,14,16-20H,6,9-13H2,1-2H3
InChIKeyICINKLNZJHADKA-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.10
Rot. Bonds9

About 3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine

3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine (PubChem CID 76873711) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
PubChem CID76873711
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
SMILESCC(C)COCCCNCC1CNNC1c1ccccc1
InChIInChI=1S/C17H29N3O/c1-14(2)13-21-10-6-9-18-11-16-12-19-20-17(16)15-7-4-3-5-8-15/h3-5,7-8,14,16-20H,6,9-13H2,1-2H3
InChIKeyICINKLNZJHADKA-UHFFFAOYSA-N
XLogP2.10
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine
CID 75266458
3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
CID 76873394
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine
CID 75257296
2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol
CID 52975595
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine
CID 52975548
N-[3-(2-methylpropoxy)propyl]-2-phenylpropan-1-amine
CID 43182585
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 114207698
N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine
CID 74809884
N-[(2-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681841
N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine
CID 74414644
N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine
CID 115584682
N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 55021174

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine (CID 76873711) is 3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine is CC(C)COCCCNCC1CNNC1c1ccccc1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine?
The InChIKey is ICINKLNZJHADKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(2)13-21-10-6-9-18-11-16-12-19-20-17(16)15-7-4-3-5-8-15/h3-5,7-8,14,16-20H,6,9-13H2,1-2H3.
What are the key properties of 3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine?
3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 76873711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).