2-(diethylaminomethyl)-N-heptylaniline

C18H32N2 — CID 43729328

IUPAC2-(diethylaminomethyl)-N-heptylaniline
SMILESCCCCCCCNc1ccccc1CN(CC)CC
InChIInChI=1S/C18H32N2/c1-4-7-8-9-12-15-19-18-14-11-10-13-17(18)16-20(5-2)6-3/h10-11,13-14,19H,4-9,12,15-16H2,1-3H3
InChIKeyFBKWSQLCAHAJHC-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.91
Rot. Bonds11

About 2-(diethylaminomethyl)-N-heptylaniline

2-(diethylaminomethyl)-N-heptylaniline (PubChem CID 43729328) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-heptylaniline.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-heptylaniline
PubChem CID43729328
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-(diethylaminomethyl)-N-heptylaniline
SMILESCCCCCCCNc1ccccc1CN(CC)CC
InChIInChI=1S/C18H32N2/c1-4-7-8-9-12-15-19-18-14-11-10-13-17(18)16-20(5-2)6-3/h10-11,13-14,19H,4-9,12,15-16H2,1-3H3
InChIKeyFBKWSQLCAHAJHC-UHFFFAOYSA-N
XLogP4.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
N'-tert-butyl-N-[2-(diethylaminomethyl)phenyl]ethane-1,2-diamine
CID 107445154
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
2-(hexadecylamino)phenol
CID 154256819
2-[2-(heptylamino)phenyl]-N-methylacetamide
CID 43692231
2-(diethylaminomethyl)-N-hexan-2-ylaniline
CID 43787790
1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 21311748
2-(diethylaminomethyl)-N-heptan-3-ylaniline
CID 63944362
N-icosylnaphthalen-1-amine
CID 53260207
N-nonylnaphthalen-1-amine
CID 63488249
N-heptyl-2-methylsulfanylaniline
CID 43683418

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-N-heptylaniline?
The IUPAC name of 2-(diethylaminomethyl)-N-heptylaniline (CID 43729328) is 2-(diethylaminomethyl)-N-heptylaniline.
What is the SMILES notation for 2-(diethylaminomethyl)-N-heptylaniline?
The canonical SMILES for 2-(diethylaminomethyl)-N-heptylaniline is CCCCCCCNc1ccccc1CN(CC)CC.
What is the InChIKey of 2-(diethylaminomethyl)-N-heptylaniline?
The InChIKey is FBKWSQLCAHAJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-7-8-9-12-15-19-18-14-11-10-13-17(18)16-20(5-2)6-3/h10-11,13-14,19H,4-9,12,15-16H2,1-3H3.
What are the key properties of 2-(diethylaminomethyl)-N-heptylaniline?
2-(diethylaminomethyl)-N-heptylaniline has a molecular weight of 276.47 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-heptylaniline is sourced from PubChem (CID 43729328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).