4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine

C16H28N2 — CID 43616946

IUPAC4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
SMILESCCCCCCC(C)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C16H28N2/c1-5-6-7-8-9-14(2)17-15-10-12-16(13-11-15)18(3)4/h10-14,17H,5-9H2,1-4H3
InChIKeySYESKUSMQRGZGF-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.52
Rot. Bonds8

About 4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine

4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine (PubChem CID 43616946) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
PubChem CID43616946
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
SMILESCCCCCCC(C)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C16H28N2/c1-5-6-7-8-9-14(2)17-15-10-12-16(13-11-15)18(3)4/h10-14,17H,5-9H2,1-4H3
InChIKeySYESKUSMQRGZGF-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine
CID 43680104
4-[4-(dimethylamino)anilino]pentan-1-ol
CID 115976111
1,3-di(octan-2-yl)-1,3-bis[4-(octan-2-ylamino)phenyl]thiourea
CID 19832459
4-[(dimethylamino)methyl]-N-heptan-2-ylaniline
CID 43747151
1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 21430110
4-tert-butyl-N-octan-2-ylaniline
CID 43129735
4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43682515
4-[4-(dimethylamino)anilino]nonanal
CID 167155386
4-(nonan-2-ylamino)benzenesulfonamide
CID 43129810
4-nitro-N-nonan-2-ylaniline
CID 43719788
N-octan-2-yl-4-propylsulfonylaniline
CID 63541969

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine (CID 43616946) is 4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine is CCCCCCC(C)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine?
The InChIKey is SYESKUSMQRGZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-6-7-8-9-14(2)17-15-10-12-16(13-11-15)18(3)4/h10-14,17H,5-9H2,1-4H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 43616946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).