zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine

C11H25NZn — CID 171588586

IUPACzinc;ethane;N-propan-2-yl-N-propylpropan-1-amine
SMILES[CH2-]C.[CH2-]CCN(CCC)C(C)C.[Zn+2]
InChIInChI=1S/C9H20N.C2H5.Zn/c1-5-7-10(8-6-2)9(3)4;1-2;/h9H,1,5-8H2,2-4H3;1H2,2H3;/q2*-1;+2
InChIKeyLDHAIUGVYMYEKY-UHFFFAOYSA-N
MW236.72 g/mol
LogP3.17
Rot. Bonds5

About zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine

zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine (PubChem CID 171588586) has the molecular formula C11H25NZn and a molecular weight of 236.72 g/mol. Its IUPAC name is zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine.

Molecular Properties

Compound Namezinc;ethane;N-propan-2-yl-N-propylpropan-1-amine
PubChem CID171588586
Molecular FormulaC11H25NZn
Molecular Weight236.72 g/mol
Exact Mass235.13
IUPAC Namezinc;ethane;N-propan-2-yl-N-propylpropan-1-amine
SMILES[CH2-]C.[CH2-]CCN(CCC)C(C)C.[Zn+2]
InChIInChI=1S/C9H20N.C2H5.Zn/c1-5-7-10(8-6-2)9(3)4;1-2;/h9H,1,5-8H2,2-4H3;1H2,2H3;/q2*-1;+2
InChIKeyLDHAIUGVYMYEKY-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 53.17
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
1-N-propan-2-yl-1-N-propylbutane-1,3-diamine
CID 43269493
N,N-dipropylbutan-2-amine
CID 524229
1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine
CID 141222296
6-chloro-N-propan-2-yl-N-propylhexan-1-amine
CID 62227256
N-(2-cyclopropylethyl)-N-propan-2-ylpropan-1-amine
CID 91037766
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
zinc;propane;N-propyl-N-propylpropan-1-amine
CID 171588504
(2R)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 103934466
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
CID 171588480

Frequently Asked Questions

What is the IUPAC name of zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine?
The IUPAC name of zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine (CID 171588586) is zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine.
What is the SMILES notation for zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine?
The canonical SMILES for zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine is [CH2-]C.[CH2-]CCN(CCC)C(C)C.[Zn+2].
What is the InChIKey of zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine?
The InChIKey is LDHAIUGVYMYEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.C2H5.Zn/c1-5-7-10(8-6-2)9(3)4;1-2;/h9H,1,5-8H2,2-4H3;1H2,2H3;/q2*-1;+2.
What are the key properties of zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine?
zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine has a molecular weight of 236.72 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine is sourced from PubChem (CID 171588586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).