butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine

C19H31N — CID 91511684

IUPACbutane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine
SMILESCC1=C(C)Cc2ccccc2C1.CCCC.[H]/N=C/CC
InChIInChI=1S/C12H14.C4H10.C3H7N/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-3-4-2;1-2-3-4/h3-6H,7-8H2,1-2H3;3-4H2,1-2H3;3-4H,2H2,1H3/b;;4-3+
InChIKeyGUFJXPZBKBEWIA-VJJINTEWSA-N
MW273.46 g/mol
LogP5.97
Rot. Bonds2

About butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine

butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine (PubChem CID 91511684) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine.

Molecular Properties

Compound Namebutane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine
PubChem CID91511684
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Namebutane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine
SMILESCC1=C(C)Cc2ccccc2C1.CCCC.[H]/N=C/CC
InChIInChI=1S/C12H14.C4H10.C3H7N/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-3-4-2;1-2-3-4/h3-6H,7-8H2,1-2H3;3-4H2,1-2H3;3-4H,2H2,1H3/b;;4-3+
InChIKeyGUFJXPZBKBEWIA-VJJINTEWSA-N
XLogP5.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine?
The IUPAC name of butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine (CID 91511684) is butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine.
What is the SMILES notation for butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine?
The canonical SMILES for butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine is CC1=C(C)Cc2ccccc2C1.CCCC.[H]/N=C/CC.
What is the InChIKey of butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine?
The InChIKey is GUFJXPZBKBEWIA-VJJINTEWSA-N. The full InChI is InChI=1S/C12H14.C4H10.C3H7N/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-3-4-2;1-2-3-4/h3-6H,7-8H2,1-2H3;3-4H2,1-2H3;3-4H,2H2,1H3/b;;4-3+.
What are the key properties of butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine?
butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine has a molecular weight of 273.46 g/mol, XLogP of 5.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,3-dimethyl-1,4-dihydronaphthalene;propan-1-imine is sourced from PubChem (CID 91511684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).