7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride

C16H30Cl2N4O — CID 119897750

IUPAC7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride
SMILESCc1nccn1CC1CCCN1C(=O)CCCCCCN.Cl.Cl
InChIInChI=1S/C16H28N4O.2ClH/c1-14-18-10-12-19(14)13-15-7-6-11-20(15)16(21)8-4-2-3-5-9-17;;/h10,12,15H,2-9,11,13,17H2,1H3;2*1H
InChIKeyCIZFZIXGNGZPII-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.94
Rot. Bonds8

About 7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride

7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride (PubChem CID 119897750) has the molecular formula C16H30Cl2N4O and a molecular weight of 365.35 g/mol. Its IUPAC name is 7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride.

Molecular Properties

Compound Name7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride
PubChem CID119897750
Molecular FormulaC16H30Cl2N4O
Molecular Weight365.35 g/mol
Exact Mass364.18
IUPAC Name7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride
SMILESCc1nccn1CC1CCCN1C(=O)CCCCCCN.Cl.Cl
InChIInChI=1S/C16H28N4O.2ClH/c1-14-18-10-12-19(14)13-15-7-6-11-20(15)16(21)8-4-2-3-5-9-17;;/h10,12,15H,2-9,11,13,17H2,1H3;2*1H
InChIKeyCIZFZIXGNGZPII-UHFFFAOYSA-N
XLogP2.94
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120504283
3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119954160
3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 119954161
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 53399018
(3-aminophenyl)-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119897776
4-(2-methylimidazol-1-yl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95303189
[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120638392
7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one
CID 62889816
1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119897765
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 119897763

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride?
The IUPAC name of 7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride (CID 119897750) is 7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride.
What is the SMILES notation for 7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride?
The canonical SMILES for 7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride is Cc1nccn1CC1CCCN1C(=O)CCCCCCN.Cl.Cl.
What is the InChIKey of 7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride?
The InChIKey is CIZFZIXGNGZPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.2ClH/c1-14-18-10-12-19(14)13-15-7-6-11-20(15)16(21)8-4-2-3-5-9-17;;/h10,12,15H,2-9,11,13,17H2,1H3;2*1H.
What are the key properties of 7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride?
7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride has a molecular weight of 365.35 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]heptan-1-one;dihydrochloride is sourced from PubChem (CID 119897750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).