1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride

C12H27Cl2N3O — CID 119852515

IUPAC1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCCN(CC)CCCCNC(=O)C1(N)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-3-15(4-2)10-6-5-9-14-11(16)12(13)7-8-12;;/h3-10,13H2,1-2H3,(H,14,16);2*1H
InChIKeyZLAOPKDFGVZYAG-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.56
Rot. Bonds8

About 1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119852515) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119852515
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCCN(CC)CCCCNC(=O)C1(N)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-3-15(4-2)10-6-5-9-14-11(16)12(13)7-8-12;;/h3-10,13H2,1-2H3,(H,14,16);2*1H
InChIKeyZLAOPKDFGVZYAG-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.56
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

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1-amino-N-(2-aminoethyl)cyclopropane-1-carboxamide
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methyl 7-[(1-aminocyclopropanecarbonyl)amino]heptanoate
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ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119852515) is 1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride is CCN(CC)CCCCNC(=O)C1(N)CC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is ZLAOPKDFGVZYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-3-15(4-2)10-6-5-9-14-11(16)12(13)7-8-12;;/h3-10,13H2,1-2H3,(H,14,16);2*1H.
What are the key properties of 1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(diethylamino)butyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119852515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).