4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide

C15H26IN3 — CID 173073611

IUPAC4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide
SMILESCN(C)CCCC1CCN(c2ccc(N)cc2)C1.I
InChIInChI=1S/C15H25N3.HI/c1-17(2)10-3-4-13-9-11-18(12-13)15-7-5-14(16)6-8-15;/h5-8,13H,3-4,9-12,16H2,1-2H3;1H
InChIKeyNHDDQFQUJPPBPM-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.05
Rot. Bonds5

About 4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide

4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide (PubChem CID 173073611) has the molecular formula C15H26IN3 and a molecular weight of 375.30 g/mol. Its IUPAC name is 4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide.

Molecular Properties

Compound Name4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide
PubChem CID173073611
Molecular FormulaC15H26IN3
Molecular Weight375.30 g/mol
Exact Mass375.12
IUPAC Name4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide
SMILESCN(C)CCCC1CCN(c2ccc(N)cc2)C1.I
InChIInChI=1S/C15H25N3.HI/c1-17(2)10-3-4-13-9-11-18(12-13)15-7-5-14(16)6-8-15;/h5-8,13H,3-4,9-12,16H2,1-2H3;1H
InChIKeyNHDDQFQUJPPBPM-UHFFFAOYSA-N
XLogP3.05
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[3-[6-(dimethylamino)hexyl]pyrrolidin-1-yl]aniline;hydroiodide
CID 173073608
4-N-[3-[1-(4-aminophenyl)piperidin-4-yl]propyl]-4-N-methylbenzene-1,4-diamine;ethane
CID 144968745
4-(3-ethylpiperidin-1-yl)aniline
CID 43584200
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414
1-[4-[[1-(4-aminophenyl)pyrrolidin-3-yl]-methylamino]piperidin-1-yl]ethanone
CID 142931755
4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline
CID 89182130
1-[1-(4-aminophenyl)pyrrolidin-3-yl]-1-(dimethylamino)ethanol;hydroiodide
CID 173073573
2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028445
4-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylaniline
CID 68975851
2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
CID 106751244
1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine
CID 19804348
4-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]aniline
CID 156774748

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide?
The IUPAC name of 4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide (CID 173073611) is 4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide.
What is the SMILES notation for 4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide?
The canonical SMILES for 4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide is CN(C)CCCC1CCN(c2ccc(N)cc2)C1.I.
What is the InChIKey of 4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide?
The InChIKey is NHDDQFQUJPPBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3.HI/c1-17(2)10-3-4-13-9-11-18(12-13)15-7-5-14(16)6-8-15;/h5-8,13H,3-4,9-12,16H2,1-2H3;1H.
What are the key properties of 4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide?
4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide has a molecular weight of 375.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(dimethylamino)propyl]pyrrolidin-1-yl]aniline;hydroiodide is sourced from PubChem (CID 173073611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).