N-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine

C17H33N — CID 139423576

IUPACN-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine
SMILESCCCCN(CC)C1=CC(C)(C)C(C)CC(C)C1
InChIInChI=1S/C17H33N/c1-7-9-10-18(8-2)16-12-14(3)11-15(4)17(5,6)13-16/h13-15H,7-12H2,1-6H3
InChIKeyRPAXRCCJJSYSNU-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.08
Rot. Bonds5

About N-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine

N-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine (PubChem CID 139423576) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine
PubChem CID139423576
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine
SMILESCCCCN(CC)C1=CC(C)(C)C(C)CC(C)C1
InChIInChI=1S/C17H33N/c1-7-9-10-18(8-2)16-12-14(3)11-15(4)17(5,6)13-16/h13-15H,7-12H2,1-6H3
InChIKeyRPAXRCCJJSYSNU-UHFFFAOYSA-N
XLogP5.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine?
The IUPAC name of N-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine (CID 139423576) is N-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine.
What is the SMILES notation for N-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine?
The canonical SMILES for N-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine is CCCCN(CC)C1=CC(C)(C)C(C)CC(C)C1.
What is the InChIKey of N-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine?
The InChIKey is RPAXRCCJJSYSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-7-9-10-18(8-2)16-12-14(3)11-15(4)17(5,6)13-16/h13-15H,7-12H2,1-6H3.
What are the key properties of N-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine?
N-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine has a molecular weight of 251.46 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-3,3,4,6-tetramethylcyclohepten-1-amine is sourced from PubChem (CID 139423576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).