N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine

C16H29N — CID 118457565

IUPACN,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine
SMILESCCCCCCC1C=CC(N(CC)CC)=CC1
InChIInChI=1S/C16H29N/c1-4-7-8-9-10-15-11-13-16(14-12-15)17(5-2)6-3/h11,13-15H,4-10,12H2,1-3H3
InChIKeyKWYLBUJELAXORX-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.76
Rot. Bonds8

About N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine

N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine (PubChem CID 118457565) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine
PubChem CID118457565
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine
SMILESCCCCCCC1C=CC(N(CC)CC)=CC1
InChIInChI=1S/C16H29N/c1-4-7-8-9-10-15-11-13-16(14-12-15)17(5-2)6-3/h11,13-15H,4-10,12H2,1-3H3
InChIKeyKWYLBUJELAXORX-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine (CID 118457565) is N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine is CCCCCCC1C=CC(N(CC)CC)=CC1.
What is the InChIKey of N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine?
The InChIKey is KWYLBUJELAXORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-4-7-8-9-10-15-11-13-16(14-12-15)17(5-2)6-3/h11,13-15H,4-10,12H2,1-3H3.
What are the key properties of N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine?
N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hexylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 118457565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).