2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride

C13H27Cl2N3O — CID 119835575

IUPAC2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)NCCCN1CCCC1
InChIInChI=1S/C13H25N3O.2ClH/c17-13(11-14-10-12-4-5-12)15-6-3-9-16-7-1-2-8-16;;/h12,14H,1-11H2,(H,15,17);2*1H
InChIKeyZMDWLTPGNXJKRU-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.43
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride (PubChem CID 119835575) has the molecular formula C13H27Cl2N3O and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
PubChem CID119835575
Molecular FormulaC13H27Cl2N3O
Molecular Weight312.29 g/mol
Exact Mass311.15
IUPAC Name2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CC1)NCCCN1CCCC1
InChIInChI=1S/C13H25N3O.2ClH/c17-13(11-14-10-12-4-5-12)15-6-3-9-16-7-1-2-8-16;;/h12,14H,1-11H2,(H,15,17);2*1H
InChIKeyZMDWLTPGNXJKRU-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901090
2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901944
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]cyclobutanecarboxamide;hydrochloride
CID 119809335
2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 60843562
2-(cyclopropylmethylamino)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 119850882
2-(cyclopropylmethylamino)-N-(3-cyclopropylpropyl)acetamide
CID 115740556
2-(cyclopropylmethylamino)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide;dihydrochloride
CID 119851340
4-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532798
2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride
CID 119777904
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide
CID 119831249

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride (CID 119835575) is 2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride is Cl.Cl.O=C(CNCC1CC1)NCCCN1CCCC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride?
The InChIKey is ZMDWLTPGNXJKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.2ClH/c17-13(11-14-10-12-4-5-12)15-6-3-9-16-7-1-2-8-16;;/h12,14H,1-11H2,(H,15,17);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride has a molecular weight of 312.29 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride is sourced from PubChem (CID 119835575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).