4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine

C17H30N2 — CID 43680104

IUPAC4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine
SMILESCCCCCC(C)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C17H30N2/c1-5-8-9-10-15(4)18-16-11-13-17(14-12-16)19(6-2)7-3/h11-15,18H,5-10H2,1-4H3
InChIKeyFIANHLVUYXRTEP-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.91
Rot. Bonds9

About 4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine

4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine (PubChem CID 43680104) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine
PubChem CID43680104
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine
SMILESCCCCCC(C)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C17H30N2/c1-5-8-9-10-15(4)18-16-11-13-17(14-12-16)19(6-2)7-3/h11-15,18H,5-10H2,1-4H3
InChIKeyFIANHLVUYXRTEP-UHFFFAOYSA-N
XLogP4.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.91
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-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
CID 43616946
2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol
CID 54866191
N,N-diethyl-4-[(heptan-2-ylamino)methyl]aniline
CID 43398761
4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine
CID 43680171
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
4-tert-butyl-N-octan-2-ylaniline
CID 43129735
4-N,4-N-diethyl-1-N-hexan-3-ylbenzene-1,4-diamine
CID 114079510
4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43682515
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
N-hexan-2-yl-4-[[4-(hexan-2-ylamino)phenoxy]methoxy]aniline
CID 161243666

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine (CID 43680104) is 4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine is CCCCCC(C)Nc1ccc(N(CC)CC)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine?
The InChIKey is FIANHLVUYXRTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-8-9-10-15(4)18-16-11-13-17(14-12-16)19(6-2)7-3/h11-15,18H,5-10H2,1-4H3.
What are the key properties of 4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine?
4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine has a molecular weight of 262.44 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 43680104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).