N,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride

C19H31ClN2 — CID 44522821

IUPACN,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(/c1cccc2c1CCCC2)N(CCCC)CCCC
InChIInChI=1S/C19H30N2.ClH/c1-3-5-14-21(15-6-4-2)19(20)18-13-9-11-16-10-7-8-12-17(16)18;/h9,11,13,20H,3-8,10,12,14-15H2,1-2H3;1H/b20-19-;
InChIKeyVTLNFHNNJLXHPX-BLTQDSCZSA-N
MW322.92 g/mol
LogP5.21
Rot. Bonds7

About N,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride

N,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride (PubChem CID 44522821) has the molecular formula C19H31ClN2 and a molecular weight of 322.92 g/mol. Its IUPAC name is N,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride
PubChem CID44522821
Molecular FormulaC19H31ClN2
Molecular Weight322.92 g/mol
Exact Mass322.22
IUPAC NameN,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(/c1cccc2c1CCCC2)N(CCCC)CCCC
InChIInChI=1S/C19H30N2.ClH/c1-3-5-14-21(15-6-4-2)19(20)18-13-9-11-16-10-7-8-12-17(16)18;/h9,11,13,20H,3-8,10,12,14-15H2,1-2H3;1H/b20-19-;
InChIKeyVTLNFHNNJLXHPX-BLTQDSCZSA-N
XLogP5.21
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.92
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride?
The IUPAC name of N,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride (CID 44522821) is N,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride.
What is the SMILES notation for N,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride?
The canonical SMILES for N,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride is Cl.[H]/N=C(/c1cccc2c1CCCC2)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride?
The InChIKey is VTLNFHNNJLXHPX-BLTQDSCZSA-N. The full InChI is InChI=1S/C19H30N2.ClH/c1-3-5-14-21(15-6-4-2)19(20)18-13-9-11-16-10-7-8-12-17(16)18;/h9,11,13,20H,3-8,10,12,14-15H2,1-2H3;1H/b20-19-;.
What are the key properties of N,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride?
N,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride has a molecular weight of 322.92 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5,6,7,8-tetrahydronaphthalene-1-carboximidamide;hydrochloride is sourced from PubChem (CID 44522821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).