lithium N,N-dipropylacetamide

C8H16LiNO — CID 10997201

IUPAClithium N,N-dipropylacetamide
SMILES[CH2-]C(=O)N(CCC)CCC.[Li+]
InChIInChI=1S/C8H16NO.Li/c1-4-6-9(7-5-2)8(3)10;/h3-7H2,1-2H3;/q-1;+1
InChIKeyBAPPEEHOAIIVRO-UHFFFAOYSA-N
MW149.16 g/mol
LogP-1.53
Rot. Bonds4

About lithium N,N-dipropylacetamide

lithium N,N-dipropylacetamide (PubChem CID 10997201) has the molecular formula C8H16LiNO and a molecular weight of 149.16 g/mol. Its IUPAC name is lithium N,N-dipropylacetamide.

Molecular Properties

Compound Namelithium N,N-dipropylacetamide
PubChem CID10997201
Molecular FormulaC8H16LiNO
Molecular Weight149.16 g/mol
Exact Mass149.14
IUPAC Namelithium N,N-dipropylacetamide
SMILES[CH2-]C(=O)N(CCC)CCC.[Li+]
InChIInChI=1S/C8H16NO.Li/c1-4-6-9(7-5-2)8(3)10;/h3-7H2,1-2H3;/q-1;+1
InChIKeyBAPPEEHOAIIVRO-UHFFFAOYSA-N
XLogP-1.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-1.53
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

2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium
CID 169015750
2-(dipropylamino)-2-oxoacetyl chloride
CID 131861907
N-ethyl-N-propylacetamide;methane;propane
CID 161155898
N-(2-oxopropyl)-N-propylacetamide
CID 88778030
butane;S-ethyl N,N-dipropylcarbamothioate
CID 88766037
3-iodo-1,1-dipropylurea
CID 87969845
2,2-dimethyl-N,N-dipropylpropanamide;methane
CID 157106915
N-(2-bromoethyl)-N-propylacetamide
CID 80660131
(E)-3-(dipropylamino)-2-methylbut-2-enoic acid
CID 87503775
(E)-N,N-dipropylbut-2-enamide
CID 21329403
2-[acetyl(propyl)amino]acetic acid
CID 23279438
3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide
CID 113135931

Frequently Asked Questions

What is the IUPAC name of lithium N,N-dipropylacetamide?
The IUPAC name of lithium N,N-dipropylacetamide (CID 10997201) is lithium N,N-dipropylacetamide.
What is the SMILES notation for lithium N,N-dipropylacetamide?
The canonical SMILES for lithium N,N-dipropylacetamide is [CH2-]C(=O)N(CCC)CCC.[Li+].
What is the InChIKey of lithium N,N-dipropylacetamide?
The InChIKey is BAPPEEHOAIIVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO.Li/c1-4-6-9(7-5-2)8(3)10;/h3-7H2,1-2H3;/q-1;+1.
What are the key properties of lithium N,N-dipropylacetamide?
lithium N,N-dipropylacetamide has a molecular weight of 149.16 g/mol, XLogP of -1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-dipropylacetamide is sourced from PubChem (CID 10997201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).