lithium N,N-dipropylbutan-1-amine

C10H22LiN — CID 88710321

IUPAClithium N,N-dipropylbutan-1-amine
SMILES[CH2-]CCCN(CCC)CCC.[Li+]
InChIInChI=1S/C10H22N.Li/c1-4-7-10-11(8-5-2)9-6-3;/h1,4-10H2,2-3H3;/q-1;+1
InChIKeyTWLLOJBXMZZWCZ-UHFFFAOYSA-N
MW163.23 g/mol
LogP-0.27
Rot. Bonds7

About lithium N,N-dipropylbutan-1-amine

lithium N,N-dipropylbutan-1-amine (PubChem CID 88710321) has the molecular formula C10H22LiN and a molecular weight of 163.23 g/mol. Its IUPAC name is lithium N,N-dipropylbutan-1-amine.

Molecular Properties

Compound Namelithium N,N-dipropylbutan-1-amine
PubChem CID88710321
Molecular FormulaC10H22LiN
Molecular Weight163.23 g/mol
Exact Mass163.19
IUPAC Namelithium N,N-dipropylbutan-1-amine
SMILES[CH2-]CCCN(CCC)CCC.[Li+]
InChIInChI=1S/C10H22N.Li/c1-4-7-10-11(8-5-2)9-6-3;/h1,4-10H2,2-3H3;/q-1;+1
InChIKeyTWLLOJBXMZZWCZ-UHFFFAOYSA-N
XLogP-0.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

zinc;ethane;N-propyl-N-propylpropan-1-amine
CID 171588522
zinc;propane;N-propyl-N-propylpropan-1-amine
CID 171588504
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
zinc;carbanide;N,N-diethylbutan-1-amine
CID 171588472
N,N-dipropylpropan-1-amine;propane
CID 174574210
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
Tripropylamineborane
CID 21315686
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
3-(dipropylamino)propane-1-thiol
CID 19031572
N,N-dimethyl-N',N'-dipropylpropane-1,3-diamine
CID 89150859
3-fluoro-N,N-dipropylpropan-1-amine
CID 87847848

Frequently Asked Questions

What is the IUPAC name of lithium N,N-dipropylbutan-1-amine?
The IUPAC name of lithium N,N-dipropylbutan-1-amine (CID 88710321) is lithium N,N-dipropylbutan-1-amine.
What is the SMILES notation for lithium N,N-dipropylbutan-1-amine?
The canonical SMILES for lithium N,N-dipropylbutan-1-amine is [CH2-]CCCN(CCC)CCC.[Li+].
What is the InChIKey of lithium N,N-dipropylbutan-1-amine?
The InChIKey is TWLLOJBXMZZWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N.Li/c1-4-7-10-11(8-5-2)9-6-3;/h1,4-10H2,2-3H3;/q-1;+1.
What are the key properties of lithium N,N-dipropylbutan-1-amine?
lithium N,N-dipropylbutan-1-amine has a molecular weight of 163.23 g/mol, XLogP of -0.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-dipropylbutan-1-amine is sourced from PubChem (CID 88710321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).