4-(5-iminopentyl)-N,N-dimethylaniline

C13H20N2 — CID 87880589

IUPAC4-(5-iminopentyl)-N,N-dimethylaniline
SMILES[H]/N=C/CCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N2/c1-15(2)13-9-7-12(8-10-13)6-4-3-5-11-14/h7-11,14H,3-6H2,1-2H3/b14-11+
InChIKeyQXQYCNXNTYQIJD-SDNWHVSQSA-N
MW204.32 g/mol
LogP3.11
Rot. Bonds6

About 4-(5-iminopentyl)-N,N-dimethylaniline

4-(5-iminopentyl)-N,N-dimethylaniline (PubChem CID 87880589) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-(5-iminopentyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(5-iminopentyl)-N,N-dimethylaniline
PubChem CID87880589
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-(5-iminopentyl)-N,N-dimethylaniline
SMILES[H]/N=C/CCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N2/c1-15(2)13-9-7-12(8-10-13)6-4-3-5-11-14/h7-11,14H,3-6H2,1-2H3/b14-11+
InChIKeyQXQYCNXNTYQIJD-SDNWHVSQSA-N
XLogP3.11
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(5-iminopentyl)phenyl]-2-methylpropan-1-amine
CID 174488376
4-(4-iminobutyl)phenol
CID 174647473
2-[4-(5-iminopentyl)phenyl]propanenitrile
CID 174488381
4-heptyl-N,N-dimethylaniline
CID 20777180
4-(6-bromohexyl)-N,N-dimethylaniline
CID 142754958
N,N-dimethyl-4-(3-methylsilylidenepropyl)aniline
CID 123895960
2-[4-(dimethylamino)phenyl]acetaldehyde
CID 15114335
[4-(5-iminopentyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 174477860
4-[3-[dichloro(methyl)silyl]propyl]-N,N-dimethylaniline
CID 54277336
4-(6-iodohex-3-enyl)-N,N-dimethylaniline
CID 54112436
4-[3-[4-(dimethylamino)phenyl]propyl]benzonitrile
CID 71380052
[4-(dimethylamino)phenyl]methyl-λ2-stannane
CID 174712145

Frequently Asked Questions

What is the IUPAC name of 4-(5-iminopentyl)-N,N-dimethylaniline?
The IUPAC name of 4-(5-iminopentyl)-N,N-dimethylaniline (CID 87880589) is 4-(5-iminopentyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(5-iminopentyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(5-iminopentyl)-N,N-dimethylaniline is [H]/N=C/CCCCc1ccc(N(C)C)cc1.
What is the InChIKey of 4-(5-iminopentyl)-N,N-dimethylaniline?
The InChIKey is QXQYCNXNTYQIJD-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H20N2/c1-15(2)13-9-7-12(8-10-13)6-4-3-5-11-14/h7-11,14H,3-6H2,1-2H3/b14-11+.
What are the key properties of 4-(5-iminopentyl)-N,N-dimethylaniline?
4-(5-iminopentyl)-N,N-dimethylaniline has a molecular weight of 204.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iminopentyl)-N,N-dimethylaniline is sourced from PubChem (CID 87880589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).