nickel;N-propylpropan-1-amine

C6H14NNi- — CID 155599333

IUPACnickel;N-propylpropan-1-amine
SMILES[CH2-]CCNCCC.[Ni]
InChIInChI=1S/C6H14N.Ni/c1-3-5-7-6-4-2;/h7H,1,3-6H2,2H3;/q-1;
InChIKeyCCQSHDJJBFDPKA-UHFFFAOYSA-N
MW158.88 g/mol
LogP1.21
Rot. Bonds4

About nickel;N-propylpropan-1-amine

nickel;N-propylpropan-1-amine (PubChem CID 155599333) has the molecular formula C6H14NNi- and a molecular weight of 158.88 g/mol. Its IUPAC name is nickel;N-propylpropan-1-amine.

Molecular Properties

Compound Namenickel;N-propylpropan-1-amine
PubChem CID155599333
Molecular FormulaC6H14NNi-
Molecular Weight158.88 g/mol
Exact Mass158.05
IUPAC Namenickel;N-propylpropan-1-amine
SMILES[CH2-]CCNCCC.[Ni]
InChIInChI=1S/C6H14N.Ni/c1-3-5-7-6-4-2;/h7H,1,3-6H2,2H3;/q-1;
InChIKeyCCQSHDJJBFDPKA-UHFFFAOYSA-N
XLogP1.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.88
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819
butane;nickel
CID 57419181
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N-(2-phosphanylethyl)propan-1-amine
CID 58997739
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
butane;propane;yttrium
CID 59895294
2-(propylamino)ethanol;hydrobromide
CID 175488073
N-propylhexadecan-1-amine
CID 18792182
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
propane-1,3-diol;N-propylpropan-1-amine
CID 87073043
azane;N'-propylethane-1,2-diamine
CID 87476258

Frequently Asked Questions

What is the IUPAC name of nickel;N-propylpropan-1-amine?
The IUPAC name of nickel;N-propylpropan-1-amine (CID 155599333) is nickel;N-propylpropan-1-amine.
What is the SMILES notation for nickel;N-propylpropan-1-amine?
The canonical SMILES for nickel;N-propylpropan-1-amine is [CH2-]CCNCCC.[Ni].
What is the InChIKey of nickel;N-propylpropan-1-amine?
The InChIKey is CCQSHDJJBFDPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.Ni/c1-3-5-7-6-4-2;/h7H,1,3-6H2,2H3;/q-1;.
What are the key properties of nickel;N-propylpropan-1-amine?
nickel;N-propylpropan-1-amine has a molecular weight of 158.88 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;N-propylpropan-1-amine is sourced from PubChem (CID 155599333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).