7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride

C17H31Cl2N3O — CID 119828718

IUPAC7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride
SMILESCN(C)C(CNC(=O)CCCCCCN)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-20(2)16(15-10-6-5-7-11-15)14-19-17(21)12-8-3-4-9-13-18;;/h5-7,10-11,16H,3-4,8-9,12-14,18H2,1-2H3,(H,19,21);2*1H
InChIKeyCAFUMDHJMCRIHM-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.16
Rot. Bonds10

About 7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride

7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride (PubChem CID 119828718) has the molecular formula C17H31Cl2N3O and a molecular weight of 364.36 g/mol. Its IUPAC name is 7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride
PubChem CID119828718
Molecular FormulaC17H31Cl2N3O
Molecular Weight364.36 g/mol
Exact Mass363.18
IUPAC Name7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride
SMILESCN(C)C(CNC(=O)CCCCCCN)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-20(2)16(15-10-6-5-7-11-15)14-19-17(21)12-8-3-4-9-13-18;;/h5-7,10-11,16H,3-4,8-9,12-14,18H2,1-2H3,(H,19,21);2*1H
InChIKeyCAFUMDHJMCRIHM-UHFFFAOYSA-N
XLogP3.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.16
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

7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride
CID 119832233
4-amino-N-[2-(dimethylamino)-2-phenylethyl]pentanamide;dihydrochloride
CID 120564173
3-(6-aminohexanoylamino)-2-phenylpropanoic acid
CID 62883152
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
2-amino-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]acetamide
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4-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide
CID 24710565
ethyl 4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutanoate
CID 60638012
4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide
CID 81087504
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CID 42886375
N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide
CID 51153675
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride (CID 119828718) is 7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride is CN(C)C(CNC(=O)CCCCCCN)c1ccccc1.Cl.Cl.
What is the InChIKey of 7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride?
The InChIKey is CAFUMDHJMCRIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.2ClH/c1-20(2)16(15-10-6-5-7-11-15)14-19-17(21)12-8-3-4-9-13-18;;/h5-7,10-11,16H,3-4,8-9,12-14,18H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride?
7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride has a molecular weight of 364.36 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119828718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).