ethane;3-propylaniline;vanadium

C11H19NV — CID 143596420

IUPACethane;3-propylaniline;vanadium
SMILESCC.CCCc1cccc(N)c1.[V]
InChIInChI=1S/C9H13N.C2H6.V/c1-2-4-8-5-3-6-9(10)7-8;1-2;/h3,5-7H,2,4,10H2,1H3;1-2H3;
InChIKeyMGNVTNABHWEVRM-UHFFFAOYSA-N
MW216.22 g/mol
LogP3.24
Rot. Bonds2

About ethane;3-propylaniline;vanadium

ethane;3-propylaniline;vanadium (PubChem CID 143596420) has the molecular formula C11H19NV and a molecular weight of 216.22 g/mol. Its IUPAC name is ethane;3-propylaniline;vanadium.

Molecular Properties

Compound Nameethane;3-propylaniline;vanadium
PubChem CID143596420
Molecular FormulaC11H19NV
Molecular Weight216.22 g/mol
Exact Mass216.10
IUPAC Nameethane;3-propylaniline;vanadium
SMILESCC.CCCc1cccc(N)c1.[V]
InChIInChI=1S/C9H13N.C2H6.V/c1-2-4-8-5-3-6-9(10)7-8;1-2;/h3,5-7H,2,4,10H2,1H3;1-2H3;
InChIKeyMGNVTNABHWEVRM-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-pentylaniline
CID 19911390
3-docosylaniline
CID 139654071
3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten
CID 170631465
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
3-[3-(4-propylpiperazin-1-yl)propyl]aniline
CID 115341726
1-(3-bromopropyl)-3-propylbenzene
CID 116545899
3-(3-fluoropropyl)aniline
CID 83855660
3-(3-aminophenyl)propan-1-ol
CID 10103334
3-[2-(4-methylcyclohexyl)ethyl]aniline
CID 86029509
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline
CID 65348006
3-(2,2,2-trifluoroethyl)aniline
CID 54595012

Frequently Asked Questions

What is the IUPAC name of ethane;3-propylaniline;vanadium?
The IUPAC name of ethane;3-propylaniline;vanadium (CID 143596420) is ethane;3-propylaniline;vanadium.
What is the SMILES notation for ethane;3-propylaniline;vanadium?
The canonical SMILES for ethane;3-propylaniline;vanadium is CC.CCCc1cccc(N)c1.[V].
What is the InChIKey of ethane;3-propylaniline;vanadium?
The InChIKey is MGNVTNABHWEVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C2H6.V/c1-2-4-8-5-3-6-9(10)7-8;1-2;/h3,5-7H,2,4,10H2,1H3;1-2H3;.
What are the key properties of ethane;3-propylaniline;vanadium?
ethane;3-propylaniline;vanadium has a molecular weight of 216.22 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propylaniline;vanadium is sourced from PubChem (CID 143596420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).