1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine

C15H26N2 — CID 21311748

IUPAC1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCCCCCCNc1ccccc1N(C)C
InChIInChI=1S/C15H26N2/c1-4-5-6-7-10-13-16-14-11-8-9-12-15(14)17(2)3/h8-9,11-12,16H,4-7,10,13H2,1-3H3
InChIKeyWNIIFMPUXXKVQA-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.13
Rot. Bonds8

About 1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 21311748) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID21311748
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCCCCCCCNc1ccccc1N(C)C
InChIInChI=1S/C15H26N2/c1-4-5-6-7-10-13-16-14-11-8-9-12-15(14)17(2)3/h8-9,11-12,16H,4-7,10,13H2,1-3H3
InChIKeyWNIIFMPUXXKVQA-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.13
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-butyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726650
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
2-(hexadecylamino)phenol
CID 154256819
2-N,2-N-dimethyl-1-N-(3-phenoxypropyl)benzene-1,2-diamine
CID 106759609
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876
N-icosylnaphthalen-1-amine
CID 53260207
N-nonylnaphthalen-1-amine
CID 63488249
N-heptyl-2-methylsulfanylaniline
CID 43683418
[2-(hexadecylamino)phenyl]-trimethylazanium
CID 21226594
2-(diethylaminomethyl)-N-heptylaniline
CID 43729328
3-chloro-2-N,2-N-dimethyl-1-N-pentylbenzene-1,2-diamine
CID 43739667
N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline
CID 67638434

Frequently Asked Questions

What is the IUPAC name of 1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine (CID 21311748) is 1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine is CCCCCCCNc1ccccc1N(C)C.
What is the InChIKey of 1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is WNIIFMPUXXKVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-5-6-7-10-13-16-14-11-8-9-12-15(14)17(2)3/h8-9,11-12,16H,4-7,10,13H2,1-3H3.
What are the key properties of 1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-heptyl-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 21311748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).