CID 138691667

C13H21LiN — CID 138691667

IUPAC—
SMILESCCCN(CCC)c1cccc(C)c1.[Li]
InChIInChI=1S/C13H21N.Li/c1-4-9-14(10-5-2)13-8-6-7-12(3)11-13;/h6-8,11H,4-5,9-10H2,1-3H3;
InChIKeyPDHIOHDPIPMBCK-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.24
Rot. Bonds5

About CID 138691667

CID 138691667 (PubChem CID 138691667) has the molecular formula C13H21LiN and a molecular weight of 198.26 g/mol.

Molecular Properties

Compound NameCID 138691667
PubChem CID138691667
Molecular FormulaC13H21LiN
Molecular Weight198.26 g/mol
Exact Mass198.18
IUPAC Name—
SMILESCCCN(CCC)c1cccc(C)c1.[Li]
InChIInChI=1S/C13H21N.Li/c1-4-9-14(10-5-2)13-8-6-7-12(3)11-13;/h6-8,11H,4-5,9-10H2,1-3H3;
InChIKeyPDHIOHDPIPMBCK-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N,N-dibutyl-3-methylaniline
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N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 143917087
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
3-N-[(3-methylphenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 63230562
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133
2-(N-ethyl-3-methylanilino)-N,N-dipropylacetamide
CID 109006691
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476

Frequently Asked Questions

What is the IUPAC name of CID 138691667?
The IUPAC name of CID 138691667 (CID 138691667) is not available.
What is the SMILES notation for CID 138691667?
The canonical SMILES for CID 138691667 is CCCN(CCC)c1cccc(C)c1.[Li].
What is the InChIKey of CID 138691667?
The InChIKey is PDHIOHDPIPMBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.Li/c1-4-9-14(10-5-2)13-8-6-7-12(3)11-13;/h6-8,11H,4-5,9-10H2,1-3H3;.
What are the key properties of CID 138691667?
CID 138691667 has a molecular weight of 198.26 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138691667 is sourced from PubChem (CID 138691667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).