zinc;propane;N-propyl-N-propylpropan-1-amine

C12H27NZn — CID 171588504

IUPACzinc;propane;N-propyl-N-propylpropan-1-amine
SMILES[CH2-]CC.[CH2-]CCN(CCC)CCC.[Zn+2]
InChIInChI=1S/C9H20N.C3H7.Zn/c1-4-7-10(8-5-2)9-6-3;1-3-2;/h1,4-9H2,2-3H3;1,3H2,2H3;/q2*-1;+2
InChIKeyBLCHKJDQLPZZCG-UHFFFAOYSA-N
MW250.74 g/mol
LogP3.56
Rot. Bonds6

About zinc;propane;N-propyl-N-propylpropan-1-amine

zinc;propane;N-propyl-N-propylpropan-1-amine (PubChem CID 171588504) has the molecular formula C12H27NZn and a molecular weight of 250.74 g/mol. Its IUPAC name is zinc;propane;N-propyl-N-propylpropan-1-amine.

Molecular Properties

Compound Namezinc;propane;N-propyl-N-propylpropan-1-amine
PubChem CID171588504
Molecular FormulaC12H27NZn
Molecular Weight250.74 g/mol
Exact Mass249.14
IUPAC Namezinc;propane;N-propyl-N-propylpropan-1-amine
SMILES[CH2-]CC.[CH2-]CCN(CCC)CCC.[Zn+2]
InChIInChI=1S/C9H20N.C3H7.Zn/c1-4-7-10(8-5-2)9-6-3;1-3-2;/h1,4-9H2,2-3H3;1,3H2,2H3;/q2*-1;+2
InChIKeyBLCHKJDQLPZZCG-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.74
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

zinc;ethane;N-propyl-N-propylpropan-1-amine
CID 171588522
lithium N,N-dipropylbutan-1-amine
CID 88710321
Tripropylamineborane
CID 21315686
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
N,N-dipropylpropan-1-amine;propane
CID 174574210
sodium;N,N-dipropylpropan-1-amine;chloride
CID 175189857
N,N-diethylethanamine;N,N-dipropylpropan-1-amine
CID 22257187
copper;N,N,N',N'-tetrapropylethane-1,2-diamine;dibromide
CID 173220545
copper;N,N,N',N'-tetrapropylethane-1,2-diamine;dichloride
CID 173220390
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
butane;nickel
CID 57419181
zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine
CID 171588586

Frequently Asked Questions

What is the IUPAC name of zinc;propane;N-propyl-N-propylpropan-1-amine?
The IUPAC name of zinc;propane;N-propyl-N-propylpropan-1-amine (CID 171588504) is zinc;propane;N-propyl-N-propylpropan-1-amine.
What is the SMILES notation for zinc;propane;N-propyl-N-propylpropan-1-amine?
The canonical SMILES for zinc;propane;N-propyl-N-propylpropan-1-amine is [CH2-]CC.[CH2-]CCN(CCC)CCC.[Zn+2].
What is the InChIKey of zinc;propane;N-propyl-N-propylpropan-1-amine?
The InChIKey is BLCHKJDQLPZZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.C3H7.Zn/c1-4-7-10(8-5-2)9-6-3;1-3-2;/h1,4-9H2,2-3H3;1,3H2,2H3;/q2*-1;+2.
What are the key properties of zinc;propane;N-propyl-N-propylpropan-1-amine?
zinc;propane;N-propyl-N-propylpropan-1-amine has a molecular weight of 250.74 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;propane;N-propyl-N-propylpropan-1-amine is sourced from PubChem (CID 171588504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).