7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride

C19H31ClN2O — CID 119758371

IUPAC7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride
SMILESCC1(C)CCC(NC(=O)CCCCCCN)c2ccccc21.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-19(2)13-12-17(15-9-6-7-10-16(15)19)21-18(22)11-5-3-4-8-14-20;/h6-7,9-10,17H,3-5,8,11-14,20H2,1-2H3,(H,21,22);1H
InChIKeyVWIZOUUTWDVLFQ-UHFFFAOYSA-N
MW338.92 g/mol
LogP4.25
Rot. Bonds7

About 7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride

7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride (PubChem CID 119758371) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is 7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride
PubChem CID119758371
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride
SMILESCC1(C)CCC(NC(=O)CCCCCCN)c2ccccc21.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-19(2)13-12-17(15-9-6-7-10-16(15)19)21-18(22)11-5-3-4-8-14-20;/h6-7,9-10,17H,3-5,8,11-14,20H2,1-2H3,(H,21,22);1H
InChIKeyVWIZOUUTWDVLFQ-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride (CID 119758371) is 7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride is CC1(C)CCC(NC(=O)CCCCCCN)c2ccccc21.Cl.
What is the InChIKey of 7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride?
The InChIKey is VWIZOUUTWDVLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-19(2)13-12-17(15-9-6-7-10-16(15)19)21-18(22)11-5-3-4-8-14-20;/h6-7,9-10,17H,3-5,8,11-14,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride?
7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride is sourced from PubChem (CID 119758371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).